Aminobenzoic acids and derivatives

Aminobenzoic acids and derivatives
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PNU 142633, Tocris Bioscience™
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CAS: 187665-65-2 Molecular Formula: C24H30N4O3 Molecular Weight (g/mol): 422.529 InChI Key: PNTVCCRNJOGKGA-QFIPXVFZSA-N Synonym: unii-b54p1bq73l,d03swh,1s-1-2-4-4-aminocarbonyl phenyl-1-piperazinyl ethyl-3,4-dihydro-n-methyl-1h-2-benzopyran-6-carboxamide,1h-2-benzopyran-6-carboxamide, 1-2-4-4-aminocarbonyl phenyl-1-piperazinyl ethyl-3,4-dihydro-n-methyl-, 1s,1s-1-2-4-4-carbamoylphenyl piperazin-1-yl ethyl-n-methyl-3,4-dihydro-1h-2-benzopyran-6-carboxamide,s-1-2-4-4-carbamoyl-phenyl-piperazin-1-yl-ethyl-isochroman-6-carboxylic acid methylamide PubChem CID: 9845148 IUPAC Name: (1S)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide SMILES: CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)N
PubChem CID | 9845148 |
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CAS | 187665-65-2 |
Molecular Weight (g/mol) | 422.529 |
SMILES | CNC(=O)C1=CC2=C(C=C1)C(OCC2)CCN3CCN(CC3)C4=CC=C(C=C4)C(=O)N |
Synonym | unii-b54p1bq73l,d03swh,1s-1-2-4-4-aminocarbonyl phenyl-1-piperazinyl ethyl-3,4-dihydro-n-methyl-1h-2-benzopyran-6-carboxamide,1h-2-benzopyran-6-carboxamide, 1-2-4-4-aminocarbonyl phenyl-1-piperazinyl ethyl-3,4-dihydro-n-methyl-, 1s,1s-1-2-4-4-carbamoylphenyl piperazin-1-yl ethyl-n-methyl-3,4-dihydro-1h-2-benzopyran-6-carboxamide,s-1-2-4-4-carbamoyl-phenyl-piperazin-1-yl-ethyl-isochroman-6-carboxylic acid methylamide |
IUPAC Name | (1S)-1-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide |
InChI Key | PNTVCCRNJOGKGA-QFIPXVFZSA-N |
Molecular Formula | C24H30N4O3 |
2,3-Diaminobenzoic acid, 95%, Thermo Scientific Chemicals
CAS: 2510-37-4 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00137818 InChI Key: KKTUQAYCCLMNOA-UHFFFAOYSA-N Synonym: diaminobenzoic acid,benzoic acid, diamino,3-carboxy-1,2-diaminobenzene,pubchem3145,acmc-209mjn,2,3-diaminobenzonic acid,2,3-diamino benzoic acid,ksc203g4l,pharmabridge p-2952,2,3-diaminobenzoic acid PubChem CID: 198069 IUPAC Name: 2,3-diaminobenzoic acid SMILES: NC1=CC=CC(C(O)=O)=C1N
PubChem CID | 198069 |
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CAS | 2510-37-4 |
Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD00137818 |
SMILES | NC1=CC=CC(C(O)=O)=C1N |
Synonym | diaminobenzoic acid,benzoic acid, diamino,3-carboxy-1,2-diaminobenzene,pubchem3145,acmc-209mjn,2,3-diaminobenzonic acid,2,3-diamino benzoic acid,ksc203g4l,pharmabridge p-2952,2,3-diaminobenzoic acid |
IUPAC Name | 2,3-diaminobenzoic acid |
InChI Key | KKTUQAYCCLMNOA-UHFFFAOYSA-N |
Molecular Formula | C7H8N2O2 |
2-(4-Methylperhydro-1,4-diazepin-1-yl)benzoic acid hydrochloride hemihydrate, 95%, Thermo Scientific™
CAS: 921938-77-4 Molecular Formula: C13H19ClN2O2 Molecular Weight (g/mol): 270.757 MDL Number: MFCD09065004 InChI Key: UCYNEWGETFFMQY-UHFFFAOYSA-N Synonym: 2-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,2-4-methyl-1,4-diazepan-1-yl benzoic acid hcl,2-4-methylhomopiperazin-1-yl benzoic acid hydrochloride hemihydrate,2-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1,2-4-methylperhydro-1,4-diazepin-1-yl benzoic acid hydrochloride 0.5 hydrate,benzoicacid, 2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-, hydrochloride 1:1,benzoicacid,2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-,hydrochloride 1:1 PubChem CID: 24229621 IUPAC Name: 2-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride SMILES: CN1CCCN(CC1)C2=CC=CC=C2C(=O)O.Cl
PubChem CID | 24229621 |
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CAS | 921938-77-4 |
Molecular Weight (g/mol) | 270.757 |
MDL Number | MFCD09065004 |
SMILES | CN1CCCN(CC1)C2=CC=CC=C2C(=O)O.Cl |
Synonym | 2-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,2-4-methyl-1,4-diazepan-1-yl benzoic acid hcl,2-4-methylhomopiperazin-1-yl benzoic acid hydrochloride hemihydrate,2-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1,2-4-methylperhydro-1,4-diazepin-1-yl benzoic acid hydrochloride 0.5 hydrate,benzoicacid, 2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-, hydrochloride 1:1,benzoicacid,2-hexahydro-4-methyl-1h-1,4-diazepin-1-yl-,hydrochloride 1:1 |
IUPAC Name | 2-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride |
InChI Key | UCYNEWGETFFMQY-UHFFFAOYSA-N |
Molecular Formula | C13H19ClN2O2 |
3,5-Diaminobenzoic Acid Dihydrochloride 98.0+%, TCI America™
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CAS: 618-56-4 Molecular Formula: C7H10Cl2N2O2 Molecular Weight (g/mol): 225.069 MDL Number: MFCD00012983 InChI Key: IGPLRBRBTUNCRT-UHFFFAOYSA-N Synonym: 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride PubChem CID: 15556789 IUPAC Name: 3,5-diaminobenzoic acid;dihydrochloride SMILES: C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl
PubChem CID | 15556789 |
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CAS | 618-56-4 |
Molecular Weight (g/mol) | 225.069 |
MDL Number | MFCD00012983 |
SMILES | C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl |
Synonym | 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride |
IUPAC Name | 3,5-diaminobenzoic acid;dihydrochloride |
InChI Key | IGPLRBRBTUNCRT-UHFFFAOYSA-N |
Molecular Formula | C7H10Cl2N2O2 |
Metoclopramide Hydrochloride, Monohydrate, USP, 98-101%, Spectrum™ Chemical
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CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride SMILES: O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
CAS | 54143-57-6 |
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Molecular Weight (g/mol) | 354.27 |
MDL Number | MFCD00150634 |
SMILES | O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC |
IUPAC Name | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride |
InChI Key | KJBLQGHJOCAOJP-UHFFFAOYSA-N |
Molecular Formula | C14H25Cl2N3O3 |
4-Amino-3-chlorobenzoic Acid 97.0+%, TCI America™
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CAS: 2486-71-7 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00460423 InChI Key: YIYBPEDZAUFQLO-UHFFFAOYSA-N Synonym: 4-amino-3-chloro-benzoic acid,3-chloro-4-aminobenzoic acid,4-amino-3-chlorbenzoic acid,benzoic acid, 4-amino-3-chloro,4-amino-3-chlorobenzoicacid,4-amino-3-chloro-benzoicacid,4-amnio-3-chlorobenzioc acid,pubchem4652,acmc-209gf7,ksc494k4j PubChem CID: 17211 IUPAC Name: 4-amino-3-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)Cl)N
PubChem CID | 17211 |
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CAS | 2486-71-7 |
Molecular Weight (g/mol) | 171.58 |
MDL Number | MFCD00460423 |
SMILES | C1=CC(=C(C=C1C(=O)O)Cl)N |
Synonym | 4-amino-3-chloro-benzoic acid,3-chloro-4-aminobenzoic acid,4-amino-3-chlorbenzoic acid,benzoic acid, 4-amino-3-chloro,4-amino-3-chlorobenzoicacid,4-amino-3-chloro-benzoicacid,4-amnio-3-chlorobenzioc acid,pubchem4652,acmc-209gf7,ksc494k4j |
IUPAC Name | 4-amino-3-chlorobenzoic acid |
InChI Key | YIYBPEDZAUFQLO-UHFFFAOYSA-N |
Molecular Formula | C7H6ClNO2 |
5-Amino-2-methoxybenzoic Acid 97.0+%, TCI America™
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CAS: 3403-47-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09260887 InChI Key: LWWPSEIFAKNPKQ-UHFFFAOYSA-N PubChem CID: 13549244 IUPAC Name: 5-amino-2-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)N)C(=O)O
PubChem CID | 13549244 |
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CAS | 3403-47-2 |
Molecular Weight (g/mol) | 167.164 |
MDL Number | MFCD09260887 |
SMILES | COC1=C(C=C(C=C1)N)C(=O)O |
IUPAC Name | 5-amino-2-methoxybenzoic acid |
InChI Key | LWWPSEIFAKNPKQ-UHFFFAOYSA-N |
Molecular Formula | C8H9NO3 |
2-Amino-4-(trifluoromethyl)benzoic Acid 97.0+%, TCI America™
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CAS: 402-13-1 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD00519334 InChI Key: NQTLZJODEOHALT-UHFFFAOYSA-N Synonym: 4-(Trifluoromethyl)anthranilic Acid PubChem CID: 67869 IUPAC Name: 2-amino-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O
PubChem CID | 67869 |
---|---|
CAS | 402-13-1 |
Molecular Weight (g/mol) | 205.136 |
MDL Number | MFCD00519334 |
SMILES | C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O |
Synonym | 4-(Trifluoromethyl)anthranilic Acid |
IUPAC Name | 2-amino-4-(trifluoromethyl)benzoic acid |
InChI Key | NQTLZJODEOHALT-UHFFFAOYSA-N |
Molecular Formula | C8H6F3NO2 |
3-Amino-4-methylbenzamide 98.0+%, TCI America™
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CAS: 19406-86-1 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00035936 InChI Key: VYBKAZXQKUFAHG-UHFFFAOYSA-N Synonym: benzamide, 3-amino-4-methyl,3-amino-p-toluamide,3-amino-4-methyl-benzamide,unii-51vb4677ff,atad,acmc-1c8qe,dsstox_cid_24407,dsstox_rid_80206,3-amino-4-methyl benzamide,3-azanyl-4-methyl-benzamide PubChem CID: 88043 IUPAC Name: 3-amino-4-methylbenzamide SMILES: CC1=C(C=C(C=C1)C(=O)N)N
PubChem CID | 88043 |
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CAS | 19406-86-1 |
Molecular Weight (g/mol) | 150.181 |
MDL Number | MFCD00035936 |
SMILES | CC1=C(C=C(C=C1)C(=O)N)N |
Synonym | benzamide, 3-amino-4-methyl,3-amino-p-toluamide,3-amino-4-methyl-benzamide,unii-51vb4677ff,atad,acmc-1c8qe,dsstox_cid_24407,dsstox_rid_80206,3-amino-4-methyl benzamide,3-azanyl-4-methyl-benzamide |
IUPAC Name | 3-amino-4-methylbenzamide |
InChI Key | VYBKAZXQKUFAHG-UHFFFAOYSA-N |
Molecular Formula | C8H10N2O |
5-Amino-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 2840-04-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD06208351 InChI Key: FSXVZWAWYKMFMX-UHFFFAOYSA-N Synonym: 5-amino-2-methyl-benzoic acid,5-amino-2-methyl benzoic acid,2-methyl-5-aminobenzoic acid,5-amino-o-toluic acid,5-amino-2-methylbenzoicacid,benzoic acid, 5-amino-2-methyl,pubchem4980,3-amino-6-methylbenzoic acid,ksc494q3t,2-methyl-5-amino benzoic acid PubChem CID: 10374614 IUPAC Name: 5-amino-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)N)C(=O)O
PubChem CID | 10374614 |
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CAS | 2840-04-2 |
Molecular Weight (g/mol) | 151.17 |
MDL Number | MFCD06208351 |
SMILES | CC1=C(C=C(C=C1)N)C(=O)O |
Synonym | 5-amino-2-methyl-benzoic acid,5-amino-2-methyl benzoic acid,2-methyl-5-aminobenzoic acid,5-amino-o-toluic acid,5-amino-2-methylbenzoicacid,benzoic acid, 5-amino-2-methyl,pubchem4980,3-amino-6-methylbenzoic acid,ksc494q3t,2-methyl-5-amino benzoic acid |
IUPAC Name | 5-amino-2-methylbenzoic acid |
InChI Key | FSXVZWAWYKMFMX-UHFFFAOYSA-N |
Molecular Formula | C8H9NO2 |
2-Amino-3-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 4389-45-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: WNAJXPYVTFYEST-UHFFFAOYSA-N Synonym: 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate PubChem CID: 78101 ChEBI: CHEBI:80574 IUPAC Name: 2-amino-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1N)C(=O)O
PubChem CID | 78101 |
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CAS | 4389-45-1 |
Molecular Weight (g/mol) | 151.165 |
ChEBI | CHEBI:80574 |
SMILES | CC1=CC=CC(=C1N)C(=O)O |
Synonym | 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate |
IUPAC Name | 2-amino-3-methylbenzoic acid |
InChI Key | WNAJXPYVTFYEST-UHFFFAOYSA-N |
Molecular Formula | C8H9NO2 |
4-Amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic Acid 97.0+%, TCI America™
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CAS: 123654-26-2 Molecular Formula: C9H8ClNO3 Molecular Weight (g/mol): 213.617 MDL Number: MFCD12923204 InChI Key: KRMUVKSAOVLXLF-UHFFFAOYSA-N Synonym: 4-Amino-5-chlorocoumaran-7-carboxylic Acid PubChem CID: 10632401 IUPAC Name: 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid SMILES: C1COC2=C1C(=C(C=C2C(=O)O)Cl)N
PubChem CID | 10632401 |
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CAS | 123654-26-2 |
Molecular Weight (g/mol) | 213.617 |
MDL Number | MFCD12923204 |
SMILES | C1COC2=C1C(=C(C=C2C(=O)O)Cl)N |
Synonym | 4-Amino-5-chlorocoumaran-7-carboxylic Acid |
IUPAC Name | 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid |
InChI Key | KRMUVKSAOVLXLF-UHFFFAOYSA-N |
Molecular Formula | C9H8ClNO3 |
2-Amino-3-bromo-5-methylbenzoic Acid 97.0+%, TCI America™
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CAS: 13091-43-5 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00051705 InChI Key: LCMZECCEEOQWLQ-UHFFFAOYSA-N PubChem CID: 2774400 IUPAC Name: 2-amino-3-bromo-5-methylbenzoic acid SMILES: CC1=CC(Br)=C(N)C(=C1)C(O)=O
PubChem CID | 2774400 |
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CAS | 13091-43-5 |
Molecular Weight (g/mol) | 230.06 |
MDL Number | MFCD00051705 |
SMILES | CC1=CC(Br)=C(N)C(=C1)C(O)=O |
IUPAC Name | 2-amino-3-bromo-5-methylbenzoic acid |
InChI Key | LCMZECCEEOQWLQ-UHFFFAOYSA-N |
Molecular Formula | C8H8BrNO2 |
4-Amino-2-chlorobenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 2457-76-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007772 InChI Key: MBDUKNCPOPMRJQ-UHFFFAOYSA-N Synonym: 2-chloro-4-aminobenzoic acid,benzoic acid, 4-amino-2-chloro,o-chloro-p-aminobenzoic acid,2-chloro-p-aminobenzoic acid,usaf nb-1,4-amino-2-chloro-benzoic acid,4-amino-2-chlorobenzoicacid,unii-y3s6924ia6,wln: zr cg dvq,pubchem3109 PubChem CID: 17154 ChEBI: CHEBI:59472 IUPAC Name: 4-amino-2-chlorobenzoic acid SMILES: C1=CC(=C(C=C1N)Cl)C(=O)O
PubChem CID | 17154 |
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CAS | 2457-76-3 |
Molecular Weight (g/mol) | 171.58 |
ChEBI | CHEBI:59472 |
MDL Number | MFCD00007772 |
SMILES | C1=CC(=C(C=C1N)Cl)C(=O)O |
Synonym | 2-chloro-4-aminobenzoic acid,benzoic acid, 4-amino-2-chloro,o-chloro-p-aminobenzoic acid,2-chloro-p-aminobenzoic acid,usaf nb-1,4-amino-2-chloro-benzoic acid,4-amino-2-chlorobenzoicacid,unii-y3s6924ia6,wln: zr cg dvq,pubchem3109 |
IUPAC Name | 4-amino-2-chlorobenzoic acid |
InChI Key | MBDUKNCPOPMRJQ-UHFFFAOYSA-N |
Molecular Formula | C7H6ClNO2 |
2-Amino-3,4-dimethylbenzoic Acid 98.0+%, TCI America™
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CAS: 50419-58-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00130041 InChI Key: MUOBMUYSNYMSDM-UHFFFAOYSA-N Synonym: 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid PubChem CID: 282450 IUPAC Name: 2-amino-3,4-dimethylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(N)=C1C
PubChem CID | 282450 |
---|---|
CAS | 50419-58-4 |
Molecular Weight (g/mol) | 165.19 |
MDL Number | MFCD00130041 |
SMILES | CC1=CC=C(C(O)=O)C(N)=C1C |
Synonym | 2-amino-3,4-dimethyl-benzoic acid,3,4-dimethylanthranilic acid,benzoic acid, 2-amino-3,4-dimethyl,pubchem4683,acmc-1aomr,ksc272a3h,2-amino-3,4-dimethyl benzoic acid |
IUPAC Name | 2-amino-3,4-dimethylbenzoic acid |
InChI Key | MUOBMUYSNYMSDM-UHFFFAOYSA-N |
Molecular Formula | C9H11NO2 |