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Benzenoids

Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (759)
Phenol esters (31)
Phenols (15)
Naphthalenes (6)
Tetralins (5)
Thiophenols (5)
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Indanes (1)

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1 – 15 of 444 results
1

8-Bromo-1-naphthoic acid, Technical Grade, Maybridge™

CAS: 1729-99-3 Molecular Formula: C11H7BrO2 Molecular Weight (g/mol): 251.079 InChI Key: DMEZDDHJCUHENA-UHFFFAOYSA-N Synonym: 8-bromo-1-naphthoic acid,1-naphthalenecarboxylic acid, 8-bromo,maybridge1_002138,8-bromo-1-carboxynaphthalene,8-bromo-1-naphthalenecarboxylic acid,1-naphthalenecarboxylicacid, 8-bromo,8-bromo-naphthalene-1-carboxylic acid PubChem CID: 72873 IUPAC Name: 8-bromonaphthalene-1-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br

PubChem CID 72873
CAS 1729-99-3
Molecular Weight (g/mol) 251.079
SMILES C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br
Synonym 8-bromo-1-naphthoic acid,1-naphthalenecarboxylic acid, 8-bromo,maybridge1_002138,8-bromo-1-carboxynaphthalene,8-bromo-1-naphthalenecarboxylic acid,1-naphthalenecarboxylicacid, 8-bromo,8-bromo-naphthalene-1-carboxylic acid
IUPAC Name 8-bromonaphthalene-1-carboxylic acid
InChI Key DMEZDDHJCUHENA-UHFFFAOYSA-N
Molecular Formula C11H7BrO2
2

1-(2,3-Dihydrobenzo[b]furan-5-yl)ethan-1-one, 97%, Thermo Scientific™

CAS: 90843-31-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00068033 InChI Key: MMVUJVASBDVNGJ-UHFFFAOYSA-N Synonym: 5-acetyl-2,3-dihydrobenzo b furan,5-acetyl-2,3-dihydrobenzofuran,1-2,3-dihydro-1-benzofuran-5-yl ethanone,1-2,3-dihydrobenzofuran-5-yl ethanone,1-2,3-dihydrobenzo b furan-5-yl ethan-1-one,1-2,3-dihydro-benzofuran-5-yl-ethanone,1-2,3-dihydro-5-benzofuranyl ethanone,1-2,3-dihydro-1-benzofuran-5-yl ethan-1-one,5-acetyl-2,3-dihydro-1-benzofuran PubChem CID: 145220 IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone SMILES: CC(=O)C1=CC=C2OCCC2=C1

PubChem CID 145220
CAS 90843-31-5
Molecular Weight (g/mol) 162.19
MDL Number MFCD00068033
SMILES CC(=O)C1=CC=C2OCCC2=C1
Synonym 5-acetyl-2,3-dihydrobenzo b furan,5-acetyl-2,3-dihydrobenzofuran,1-2,3-dihydro-1-benzofuran-5-yl ethanone,1-2,3-dihydrobenzofuran-5-yl ethanone,1-2,3-dihydrobenzo b furan-5-yl ethan-1-one,1-2,3-dihydro-benzofuran-5-yl-ethanone,1-2,3-dihydro-5-benzofuranyl ethanone,1-2,3-dihydro-1-benzofuran-5-yl ethan-1-one,5-acetyl-2,3-dihydro-1-benzofuran
IUPAC Name 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
InChI Key MMVUJVASBDVNGJ-UHFFFAOYSA-N
Molecular Formula C10H10O2
3

2-(4-Chloro-2-fluorophenyl)acetonitrile, 97%, Thermo Scientific™

CAS: 75279-53-7 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD01312758 InChI Key: RTQOANCZEAIDEZ-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorophenylacetonitrile,2-4-chloro-2-fluorophenyl acetonitrile,2-fluoro-4-chlorobenzyl cyanide,4-chloro-2-fluorobenzyl cyanide,benzeneacetonitrile, 4-chloro-2-fluoro,4-chloro-2-fluoro-phenyl-acetonitrile,4-chloro-2-fluoro-phenyl acetonitrile,2-4-chloro-2-fluorophenyl ethanenitrile,pubchem4296,ksc494e1b PubChem CID: 2736569 IUPAC Name: 2-(4-chloro-2-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1Cl)F)CC#N

PubChem CID 2736569
CAS 75279-53-7
Molecular Weight (g/mol) 169.583
MDL Number MFCD01312758
SMILES C1=CC(=C(C=C1Cl)F)CC#N
Synonym 4-chloro-2-fluorophenylacetonitrile,2-4-chloro-2-fluorophenyl acetonitrile,2-fluoro-4-chlorobenzyl cyanide,4-chloro-2-fluorobenzyl cyanide,benzeneacetonitrile, 4-chloro-2-fluoro,4-chloro-2-fluoro-phenyl-acetonitrile,4-chloro-2-fluoro-phenyl acetonitrile,2-4-chloro-2-fluorophenyl ethanenitrile,pubchem4296,ksc494e1b
IUPAC Name 2-(4-chloro-2-fluorophenyl)acetonitrile
InChI Key RTQOANCZEAIDEZ-UHFFFAOYSA-N
Molecular Formula C8H5ClFN
4

1-(1,3-Benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione, 97%, Thermo Scientific™

CAS: 306935-39-7 Molecular Formula: C11H7F3O4 Molecular Weight (g/mol): 260.168 MDL Number: MFCD01570563 InChI Key: FDLJUCOQPAGQNY-UHFFFAOYSA-N Synonym: 1-1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,1-2h-1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,3-3,4-methylenedioxy benzoyl-1,1,1-trifluoroacetone,1-benzo d 1,3 dioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,maybridge1_005379,1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dion,1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,1,3-butanedione,1-1,3-benzodioxol-5-yl-4,4,4-trifluoro,1-1,3-benzodioxol-5-yl-4,4,4-tri-fluorobutane-1,3-dione,1-1,3-benzodioxole-5-yl-4,4,4-trifluorobutane-1,3-dione PubChem CID: 2775368 IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)CC(=O)C(F)(F)F

PubChem CID 2775368
CAS 306935-39-7
Molecular Weight (g/mol) 260.168
MDL Number MFCD01570563
SMILES C1OC2=C(O1)C=C(C=C2)C(=O)CC(=O)C(F)(F)F
Synonym 1-1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,1-2h-1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,3-3,4-methylenedioxy benzoyl-1,1,1-trifluoroacetone,1-benzo d 1,3 dioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,maybridge1_005379,1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dion,1,3-benzodioxol-5-yl-4,4,4-trifluorobutane-1,3-dione,1,3-butanedione,1-1,3-benzodioxol-5-yl-4,4,4-trifluoro,1-1,3-benzodioxol-5-yl-4,4,4-tri-fluorobutane-1,3-dione,1-1,3-benzodioxole-5-yl-4,4,4-trifluorobutane-1,3-dione
IUPAC Name 1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione
InChI Key FDLJUCOQPAGQNY-UHFFFAOYSA-N
Molecular Formula C11H7F3O4
5

4-(4'-Aminobenzyl)thiomorpholine 1,1-dioxide, ≥90%, Thermo Scientific™

CAS: 263339-24-8 Molecular Formula: C11H16N2O2S Molecular Weight (g/mol): 240.32 MDL Number: MFCD03407300 InChI Key: TZMCILRCGMFRJC-UHFFFAOYSA-N Synonym: 4-4'-aminobenzyl thiomorpholine 1,1-dioxide,4-1,1-dioxo-1,4-thiazinan-4-yl methyl aniline,4-1,1-dioxo-4-thiomorpholinyl methyl phenyl amine,4-4-aminophenyl methyl-1??-thiomorpholine-1,1-dione,4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl-thiomorpholine-1,1-dioxide,4-4-amino-benzyl-thiomorpholine 1,1-dioxide,4-1,1-dioxo-thiomorpholin-4-yl-methyl-aniline PubChem CID: 2779682 IUPAC Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline SMILES: NC1=CC=C(CN2CCS(=O)(=O)CC2)C=C1

PubChem CID 2779682
CAS 263339-24-8
Molecular Weight (g/mol) 240.32
MDL Number MFCD03407300
SMILES NC1=CC=C(CN2CCS(=O)(=O)CC2)C=C1
Synonym 4-4'-aminobenzyl thiomorpholine 1,1-dioxide,4-1,1-dioxo-1,4-thiazinan-4-yl methyl aniline,4-1,1-dioxo-4-thiomorpholinyl methyl phenyl amine,4-4-aminophenyl methyl-1??-thiomorpholine-1,1-dione,4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl thiomorpholine 1,1-dioxide,4-4-aminobenzyl-thiomorpholine-1,1-dioxide,4-4-amino-benzyl-thiomorpholine 1,1-dioxide,4-1,1-dioxo-thiomorpholin-4-yl-methyl-aniline
IUPAC Name 4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
InChI Key TZMCILRCGMFRJC-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
6

5-(3-Hydroxyphenyl)-1H-pyrazole-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 690631-98-2 Molecular Formula: C10H8N2O3 Molecular Weight (g/mol): 204.185 MDL Number: MFCD05664420 InChI Key: KOWRVFWZCLHEIU-UHFFFAOYSA-N Synonym: 5-3-hydroxyphenyl-1h-pyrazole-3-carboxylic acid,5-3-hydroxy-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-3-hydroxyphenyl,3-3-hydroxyphenyl-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 5-3-hydroxyphenyl,5-3-hydroxyphenyl-2h-pyrazole-3-carboxylic acid,3-3-carboxy-1h-pyrazol-5-yl phenol,3-carboxy-5-3-hydroxyphenyl-1h-pyrazole,5-3-hydroxyphenyl pyrazole-3-carboxylic acid PubChem CID: 2794658 IUPAC Name: 3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid SMILES: C1=CC(=CC(=C1)O)C2=NNC(=C2)C(=O)O

PubChem CID 2794658
CAS 690631-98-2
Molecular Weight (g/mol) 204.185
MDL Number MFCD05664420
SMILES C1=CC(=CC(=C1)O)C2=NNC(=C2)C(=O)O
Synonym 5-3-hydroxyphenyl-1h-pyrazole-3-carboxylic acid,5-3-hydroxy-phenyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-3-hydroxyphenyl,3-3-hydroxyphenyl-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 5-3-hydroxyphenyl,5-3-hydroxyphenyl-2h-pyrazole-3-carboxylic acid,3-3-carboxy-1h-pyrazol-5-yl phenol,3-carboxy-5-3-hydroxyphenyl-1h-pyrazole,5-3-hydroxyphenyl pyrazole-3-carboxylic acid
IUPAC Name 3-(3-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
InChI Key KOWRVFWZCLHEIU-UHFFFAOYSA-N
Molecular Formula C10H8N2O3
7

3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-hydroxybenzoic acid, ≥97%, Thermo Scientific™

CAS: 176442-21-0 Molecular Formula: C22H17NO5 Molecular Weight (g/mol): 375.38 MDL Number: MFCD02682203 InChI Key: WGBZDECNYLZYRE-UHFFFAOYSA-N Synonym: 3-9h-fluoren-9-ylmethoxy carbonyl amino-5-hydroxybenzoic acid,3-9h-fluoren-9-yl methoxy carbonyl amino-5-hydroxybenzoic acid,3-amino-5-hydroxybenzoic acid,n-fmoc protected,3-hydroxy-5-9h-fluorene-9-yl methoxy carbonyl amino benzoic acid,benzoic acid,3-9h-fluoren-9-ylmethoxy carbonyl amino-5-hydroxy PubChem CID: 11057866 IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxybenzoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC(=CC(=C4)C(=O)O)O

PubChem CID 11057866
CAS 176442-21-0
Molecular Weight (g/mol) 375.38
MDL Number MFCD02682203
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC(=CC(=C4)C(=O)O)O
Synonym 3-9h-fluoren-9-ylmethoxy carbonyl amino-5-hydroxybenzoic acid,3-9h-fluoren-9-yl methoxy carbonyl amino-5-hydroxybenzoic acid,3-amino-5-hydroxybenzoic acid,n-fmoc protected,3-hydroxy-5-9h-fluorene-9-yl methoxy carbonyl amino benzoic acid,benzoic acid,3-9h-fluoren-9-ylmethoxy carbonyl amino-5-hydroxy
IUPAC Name 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxybenzoic acid
InChI Key WGBZDECNYLZYRE-UHFFFAOYSA-N
Molecular Formula C22H17NO5
8

1-(4-Bromobenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 165669-32-9 Molecular Formula: C11H10BrN3O2 Molecular Weight (g/mol): 296.124 MDL Number: MFCD06659088 InChI Key: FJFFHBYCFJNIAV-UHFFFAOYSA-N Synonym: 1-4-bromobenzyl-5-methyl-1h-1,2,3-triazole-4-carboxylic acid,1-4-bromophenyl methyl-5-methyl-1,2,3-triazole-4-carboxylic acid,1-4-bromophenyl methyl-5-methyl-1h-1,2,3-triazole-4-carboxylic acid,1h-1,2,3-triazole-4-carboxylicacid, 1-4-bromophenyl methyl-5-methyl,1-4-bromophenyl methyl-5-methyl-4-triazolecarboxylic acid,1-4-bromophenyl methyl-5-methyltriazole-4-carboxylic acid,1-4-bromo-benzyl-5-methyl-1h-1,2,3 triazole-4-carboxylic acid PubChem CID: 2794828 IUPAC Name: 1-[(4-bromophenyl)methyl]-5-methyltriazole-4-carboxylic acid SMILES: CC1=C(N=NN1CC2=CC=C(C=C2)Br)C(=O)O

PubChem CID 2794828
CAS 165669-32-9
Molecular Weight (g/mol) 296.124
MDL Number MFCD06659088
SMILES CC1=C(N=NN1CC2=CC=C(C=C2)Br)C(=O)O
Synonym 1-4-bromobenzyl-5-methyl-1h-1,2,3-triazole-4-carboxylic acid,1-4-bromophenyl methyl-5-methyl-1,2,3-triazole-4-carboxylic acid,1-4-bromophenyl methyl-5-methyl-1h-1,2,3-triazole-4-carboxylic acid,1h-1,2,3-triazole-4-carboxylicacid, 1-4-bromophenyl methyl-5-methyl,1-4-bromophenyl methyl-5-methyl-4-triazolecarboxylic acid,1-4-bromophenyl methyl-5-methyltriazole-4-carboxylic acid,1-4-bromo-benzyl-5-methyl-1h-1,2,3 triazole-4-carboxylic acid
IUPAC Name 1-[(4-bromophenyl)methyl]-5-methyltriazole-4-carboxylic acid
InChI Key FJFFHBYCFJNIAV-UHFFFAOYSA-N
Molecular Formula C11H10BrN3O2
9

Pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate, 97%, Thermo Scientific™

CAS: 934570-42-0 Molecular Formula: C16H11F5N2O2S Molecular Weight (g/mol): 390.33 MDL Number: MFCD09702363 InChI Key: CXWZKWSFJLNFMF-UHFFFAOYSA-N Synonym: pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate,pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,2,3,4,5,6-pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2-thiomorpholin-4-yl-4-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229510 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-thiomorpholin-4-ylpyridine-4-carboxylate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC(=NC=C2)N2CCSCC2)C(F)=C1F

PubChem CID 24229510
CAS 934570-42-0
Molecular Weight (g/mol) 390.33
MDL Number MFCD09702363
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC(=NC=C2)N2CCSCC2)C(F)=C1F
Synonym pentafluorophenyl 2-thiomorpholin-4-ylisonicotinate,pentafluorophenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 2-thiomorpholin-4-ylpyridine-4-carboxylate,2,3,4,5,6-pentafluorophenyl 2-thiomorpholin-4-yl pyridine-4-carboxylate,2-thiomorpholin-4-yl-4-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 2-thiomorpholin-4-ylpyridine-4-carboxylate
InChI Key CXWZKWSFJLNFMF-UHFFFAOYSA-N
Molecular Formula C16H11F5N2O2S
10

4-(2-Iodophenoxy)tetrahydropyran, 97%, Thermo Scientific™

CAS: 906352-70-3 Molecular Formula: C11H13IO2 Molecular Weight (g/mol): 304.127 MDL Number: MFCD09064961 InChI Key: ADTBIBCNKWWYRD-UHFFFAOYSA-N Synonym: 4-2-iodophenoxy tetrahydropyran,4-2-iodophenoxy oxane,4-2-iodophenoxy tetrahydro-2h-pyran PubChem CID: 21981312 IUPAC Name: 4-(2-iodophenoxy)oxane SMILES: C1COCCC1OC2=CC=CC=C2I

PubChem CID 21981312
CAS 906352-70-3
Molecular Weight (g/mol) 304.127
MDL Number MFCD09064961
SMILES C1COCCC1OC2=CC=CC=C2I
Synonym 4-2-iodophenoxy tetrahydropyran,4-2-iodophenoxy oxane,4-2-iodophenoxy tetrahydro-2h-pyran
IUPAC Name 4-(2-iodophenoxy)oxane
InChI Key ADTBIBCNKWWYRD-UHFFFAOYSA-N
Molecular Formula C11H13IO2
11

4-(4-Iodophenoxy)tetrahydropyran, 97%, Thermo Scientific™

CAS: 144808-72-0 Molecular Formula: C11H13IO2 Molecular Weight (g/mol): 304.127 MDL Number: MFCD09064966 InChI Key: PQUFKWFIWPZFBM-UHFFFAOYSA-N Synonym: 4-4-iodophenoxy tetrahydropyran,4-4-iodophenoxy oxane,4-4-iodophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-iodophenoxy,acmc-20e5io PubChem CID: 24229524 IUPAC Name: 4-(4-iodophenoxy)oxane SMILES: C1COCCC1OC2=CC=C(C=C2)I

PubChem CID 24229524
CAS 144808-72-0
Molecular Weight (g/mol) 304.127
MDL Number MFCD09064966
SMILES C1COCCC1OC2=CC=C(C=C2)I
Synonym 4-4-iodophenoxy tetrahydropyran,4-4-iodophenoxy oxane,4-4-iodophenoxy tetrahydro-2h-pyran,2h-pyran,tetrahydro-4-4-iodophenoxy,acmc-20e5io
IUPAC Name 4-(4-iodophenoxy)oxane
InChI Key PQUFKWFIWPZFBM-UHFFFAOYSA-N
Molecular Formula C11H13IO2
12

4-phenoxybenzoyl chloride, 97%, Thermo Scientific™

CAS: 1623-95-6 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 InChI Key: AOOZVQGGMFGGEE-UHFFFAOYSA-N PubChem CID: 74193 IUPAC Name: 4-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)Cl

PubChem CID 74193
CAS 1623-95-6
Molecular Weight (g/mol) 232.663
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)Cl
IUPAC Name 4-phenoxybenzoyl chloride
InChI Key AOOZVQGGMFGGEE-UHFFFAOYSA-N
Molecular Formula C13H9ClO2
13

3-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]benzonitrile, 97%, Thermo Scientific™

CAS: 910036-91-8 Molecular Formula: C14H19N3 Molecular Weight (g/mol): 229.327 MDL Number: MFCD09702379 InChI Key: WCQJGGDNUFLTPA-UHFFFAOYSA-N Synonym: 3-4-methylhomopiperazin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazepan-1-yl methyl benzonitrile,3-4-methylperhydro-1,4-diazepin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazaperhydroepinyl methyl benzenecarbonitrile,benzonitrile,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl PubChem CID: 24229556 IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile SMILES: CN1CCCN(CC1)CC2=CC=CC(=C2)C#N

PubChem CID 24229556
CAS 910036-91-8
Molecular Weight (g/mol) 229.327
MDL Number MFCD09702379
SMILES CN1CCCN(CC1)CC2=CC=CC(=C2)C#N
Synonym 3-4-methylhomopiperazin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazepan-1-yl methyl benzonitrile,3-4-methylperhydro-1,4-diazepin-1-yl methyl benzonitrile,3-4-methyl-1,4-diazaperhydroepinyl methyl benzenecarbonitrile,benzonitrile,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl
IUPAC Name 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
InChI Key WCQJGGDNUFLTPA-UHFFFAOYSA-N
Molecular Formula C14H19N3
14

1-(3-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 97%, Thermo Scientific™

CAS: 414885-80-6 Molecular Formula: C13H19BrN2 Molecular Weight (g/mol): 283.21 MDL Number: MFCD00811036 InChI Key: XUIRKBKKWOVRIJ-UHFFFAOYSA-N Synonym: 1-3-bromobenzyl-4-methylperhydro-1,4-diazepine,1-3-bromophenyl methyl-4-methyl-1,4-diazepane,1-3-bromobenzyl-4-methylhomopiperazine,1h-1,4-diazepine,1-3-bromophenyl methyl hexahydro-4-methyl,1-3-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5266396 PubChem CID: 764720 IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane SMILES: CN1CCCN(CC2=CC(Br)=CC=C2)CC1

PubChem CID 764720
CAS 414885-80-6
Molecular Weight (g/mol) 283.21
MDL Number MFCD00811036
SMILES CN1CCCN(CC2=CC(Br)=CC=C2)CC1
Synonym 1-3-bromobenzyl-4-methylperhydro-1,4-diazepine,1-3-bromophenyl methyl-4-methyl-1,4-diazepane,1-3-bromobenzyl-4-methylhomopiperazine,1h-1,4-diazepine,1-3-bromophenyl methyl hexahydro-4-methyl,1-3-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5266396
IUPAC Name 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane
InChI Key XUIRKBKKWOVRIJ-UHFFFAOYSA-N
Molecular Formula C13H19BrN2
15

3-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]benzylamine, 95%, Thermo Scientific™

CAS: 915707-48-1 Molecular Formula: C14H23N3 Molecular Weight (g/mol): 233.36 MDL Number: MFCD09787493 InChI Key: MSLZRDIUXASDJH-UHFFFAOYSA-N Synonym: 3-4-methylperhydro-1,4-diazepin-1-yl methyl benzylamine,3-4-methylhomopiperazin-1-yl methyl benzylamine,3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,1-3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,3-4-methyl-1,4-diazaperhydroepinyl methyl phenyl methylamine,benzenemethanamine,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl,3-4-methylhomopiperazin-1-yl methyl benzylamine, 3-4-methyl-1,4-diazepan-1-yl methyl phenyl methylamine PubChem CID: 24229554 IUPAC Name: [3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine SMILES: CN1CCCN(CC2=CC(CN)=CC=C2)CC1

PubChem CID 24229554
CAS 915707-48-1
Molecular Weight (g/mol) 233.36
MDL Number MFCD09787493
SMILES CN1CCCN(CC2=CC(CN)=CC=C2)CC1
Synonym 3-4-methylperhydro-1,4-diazepin-1-yl methyl benzylamine,3-4-methylhomopiperazin-1-yl methyl benzylamine,3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,1-3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,3-4-methyl-1,4-diazaperhydroepinyl methyl phenyl methylamine,benzenemethanamine,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl,3-4-methylhomopiperazin-1-yl methyl benzylamine, 3-4-methyl-1,4-diazepan-1-yl methyl phenyl methylamine
IUPAC Name [3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
InChI Key MSLZRDIUXASDJH-UHFFFAOYSA-N
Molecular Formula C14H23N3