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Aminobenzoic acids and derivatives

Organic compounds that consist of a benzene ring substituted with amino and carboxyl groups. Includes compounds that are derived from aminobenzoic acids.
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1

4-Amino-2-fluorobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 446-31-1 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD01569397 InChI Key: QHERSCUZBKDVOC-UHFFFAOYSA-N Synonym: 2-fluoro-4-aminobenzoic acid,4-amino-2-fluorobenzoicacid,4-amino-2-fluorobenzenecarboxylic acid,4-amino-2-fluoro-benzoic acid,4-carboxy-3-fluoroaniline,benzoic acid, 4-amino-2-fluoro,pubchem4693,acmc-209jz6,ksc237k0f,4-amino-2-fluoro benzoic acid PubChem CID: 302680 IUPAC Name: 4-amino-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1N)F)C(=O)O

PubChem CID 302680
CAS 446-31-1
Molecular Weight (g/mol) 155.128
MDL Number MFCD01569397
SMILES C1=CC(=C(C=C1N)F)C(=O)O
Synonym 2-fluoro-4-aminobenzoic acid,4-amino-2-fluorobenzoicacid,4-amino-2-fluorobenzenecarboxylic acid,4-amino-2-fluoro-benzoic acid,4-carboxy-3-fluoroaniline,benzoic acid, 4-amino-2-fluoro,pubchem4693,acmc-209jz6,ksc237k0f,4-amino-2-fluoro benzoic acid
IUPAC Name 4-amino-2-fluorobenzoic acid
InChI Key QHERSCUZBKDVOC-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
2

Tolfenamic acid, 99+%

CAS: 13710-19-5 Molecular Formula: C14H12ClNO2 Molecular Weight (g/mol): 261.705 MDL Number: MFCD00133865 InChI Key: YEZNLOUZAIOMLT-UHFFFAOYSA-N Synonym: tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid PubChem CID: 610479 ChEBI: CHEBI:32243 IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acid SMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O

PubChem CID 610479
CAS 13710-19-5
Molecular Weight (g/mol) 261.705
ChEBI CHEBI:32243
MDL Number MFCD00133865
SMILES CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)O
Synonym tolfenamic acid,clotam,n-3-chloro-2-methylphenyl anthranilic acid,2-3-chloro-2-methylphenyl amino benzoic acid,tolfedine,acido tolfenamico,acide tolfenamique,acidum tolfenamicum,tolfine,n-2-methyl-3-chlorophenyl anthranilic acid
IUPAC Name 2-(3-chloro-2-methylanilino)benzoic acid
InChI Key YEZNLOUZAIOMLT-UHFFFAOYSA-N
Molecular Formula C14H12ClNO2
3

4-Dimethylaminobenzoic acid, 98%

CAS: 619-84-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O

PubChem CID 12092
CAS 619-84-1
Molecular Weight (g/mol) 165.19
MDL Number MFCD00002537
SMILES CN(C)C1=CC=C(C=C1)C(=O)O
Synonym 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid
IUPAC Name 4-(dimethylamino)benzoic acid
InChI Key YDIYEOMDOWUDTJ-UHFFFAOYSA-N
Molecular Formula C9H11NO2
4

5-Amino-2-chlorobenzoic acid, 98+%

CAS: 89-54-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007845 InChI Key: GVCFFVPEOLCYNN-UHFFFAOYSA-N Synonym: 2-chloro-5-aminobenzoic acid,benzoic acid, 5-amino-2-chloro,3-amino-6-chlorobenzoic acid,5-amino-2-chloro-benzoic acid,5-amino-2-chlorobenzoicacid,3-carboxy-4-chloroaniline,5-amino-2-chloro benzoic acid,zlchem 462,pubchem4654,acmc-209r1l PubChem CID: 37879 IUPAC Name: 5-amino-2-chlorobenzoic acid SMILES: NC1=CC=C(Cl)C(=C1)C(O)=O

PubChem CID 37879
CAS 89-54-3
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007845
SMILES NC1=CC=C(Cl)C(=C1)C(O)=O
Synonym 2-chloro-5-aminobenzoic acid,benzoic acid, 5-amino-2-chloro,3-amino-6-chlorobenzoic acid,5-amino-2-chloro-benzoic acid,5-amino-2-chlorobenzoicacid,3-carboxy-4-chloroaniline,5-amino-2-chloro benzoic acid,zlchem 462,pubchem4654,acmc-209r1l
IUPAC Name 5-amino-2-chlorobenzoic acid
InChI Key GVCFFVPEOLCYNN-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
5

3,4-Diaminobenzoic acid, 94%

CAS: 619-05-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007726 InChI Key: HEMGYNNCNNODNX-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid PubChem CID: 69263 IUPAC Name: 3,4-diaminobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)N

PubChem CID 69263
CAS 619-05-6
Molecular Weight (g/mol) 152.153
MDL Number MFCD00007726
SMILES C1=CC(=C(C=C1C(=O)O)N)N
Synonym benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid
IUPAC Name 3,4-diaminobenzoic acid
InChI Key HEMGYNNCNNODNX-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
6

2-Amino-6-bromobenzoic acid, 97+%

CAS: 20776-48-1 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD03618455 InChI Key: BNQPROAXWQCNKO-UHFFFAOYSA-N Synonym: 6-bromoanthranilic acid,3-bromo-2-carboxyaniline,benzoic acid, 2-amino-6-bromo,buttpark 49\07-50,2-amino-6-bromo-benzoic acid,ksc201s8r PubChem CID: 10560649 IUPAC Name: 2-amino-6-bromobenzoic acid SMILES: NC1=C(C(O)=O)C(Br)=CC=C1

PubChem CID 10560649
CAS 20776-48-1
Molecular Weight (g/mol) 216.03
MDL Number MFCD03618455
SMILES NC1=C(C(O)=O)C(Br)=CC=C1
Synonym 6-bromoanthranilic acid,3-bromo-2-carboxyaniline,benzoic acid, 2-amino-6-bromo,buttpark 49\07-50,2-amino-6-bromo-benzoic acid,ksc201s8r
IUPAC Name 2-amino-6-bromobenzoic acid
InChI Key BNQPROAXWQCNKO-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
7

2-Amino-5-(trifluoromethoxy)benzoic acid, 98%

CAS: 83265-56-9 Molecular Formula: C8H6F3NO3 Molecular Weight (g/mol): 221.135 MDL Number: MFCD00176651 InChI Key: UXNGDCBPIGOZFO-UHFFFAOYSA-N Synonym: 2-amino-5-trifluoromethoxy benzoic acid,2-amino-5-trifluoromethoxy-benzoic acid,5-trifluoromethoxyanthranilic acid,2-amino-5-trifluoromethoxy benzoicacid,benzoic acid, 2-amino-5-trifluoromethoxy,pubchem12913,acmc-20a4df,ksc496m3d,uxngdcbpigozfo-uhfffaoysa,5-trifluoromethoxy anthranilic acid PubChem CID: 11085349 IUPAC Name: 2-amino-5-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)N

PubChem CID 11085349
CAS 83265-56-9
Molecular Weight (g/mol) 221.135
MDL Number MFCD00176651
SMILES C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)N
Synonym 2-amino-5-trifluoromethoxy benzoic acid,2-amino-5-trifluoromethoxy-benzoic acid,5-trifluoromethoxyanthranilic acid,2-amino-5-trifluoromethoxy benzoicacid,benzoic acid, 2-amino-5-trifluoromethoxy,pubchem12913,acmc-20a4df,ksc496m3d,uxngdcbpigozfo-uhfffaoysa,5-trifluoromethoxy anthranilic acid
IUPAC Name 2-amino-5-(trifluoromethoxy)benzoic acid
InChI Key UXNGDCBPIGOZFO-UHFFFAOYSA-N
Molecular Formula C8H6F3NO3
8

2-Amino-6-methoxybenzoic acid, 97%

CAS: 53600-33-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD01941328 InChI Key: DYZDIWNRWSNVPT-UHFFFAOYSA-N Synonym: 6-methoxyanthranilic acid,6-amino-o-anisic acid,2-amino-6-methoxy-benzoic acid,2-amino-6-methoxybenzoicacid,benzoic acid, 2-amino-6-methoxy,6-methoxy anthranilic acid,pubchem4706,3-amino-2-carboxyanisole,6-methoxy-anthranilic acid,2-carboxy-3-methoxyaniline PubChem CID: 2735357 IUPAC Name: 2-amino-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)N

PubChem CID 2735357
CAS 53600-33-2
Molecular Weight (g/mol) 167.164
MDL Number MFCD01941328
SMILES COC1=CC=CC(=C1C(=O)O)N
Synonym 6-methoxyanthranilic acid,6-amino-o-anisic acid,2-amino-6-methoxy-benzoic acid,2-amino-6-methoxybenzoicacid,benzoic acid, 2-amino-6-methoxy,6-methoxy anthranilic acid,pubchem4706,3-amino-2-carboxyanisole,6-methoxy-anthranilic acid,2-carboxy-3-methoxyaniline
IUPAC Name 2-amino-6-methoxybenzoic acid
InChI Key DYZDIWNRWSNVPT-UHFFFAOYSA-N
Molecular Formula C8H9NO3
9

5-Aminosalicylic acid, 99%

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

PubChem CID 4075
CAS 89-57-6
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:6775
MDL Number MFCD00007877
SMILES C1=CC(=C(C=C1N)C(=O)O)O
Synonym 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
10

5-Amino-2-bromobenzoic acid, 95%

CAS: 2840-02-0 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD07368968 InChI Key: FEXDUVBQBNYSQV-UHFFFAOYSA-N Synonym: 5-amino-2-bromo-benzoic acid,4-bromo-3-carboxyaniline,benzoic acid,5-amino-2-bromo,benzoic acid, 5-amino-2-bromo,pubchem4637,acmc-209h2e,5-amino-2-bromobenzoicacid,2-bromo-5-aminobenzoic acid,ksc561g5h,5-amino-2-bromo benzoic acid PubChem CID: 2769624 IUPAC Name: 5-amino-2-bromobenzoic acid SMILES: NC1=CC(C(O)=O)=C(Br)C=C1

PubChem CID 2769624
CAS 2840-02-0
Molecular Weight (g/mol) 216.03
MDL Number MFCD07368968
SMILES NC1=CC(C(O)=O)=C(Br)C=C1
Synonym 5-amino-2-bromo-benzoic acid,4-bromo-3-carboxyaniline,benzoic acid,5-amino-2-bromo,benzoic acid, 5-amino-2-bromo,pubchem4637,acmc-209h2e,5-amino-2-bromobenzoicacid,2-bromo-5-aminobenzoic acid,ksc561g5h,5-amino-2-bromo benzoic acid
IUPAC Name 5-amino-2-bromobenzoic acid
InChI Key FEXDUVBQBNYSQV-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
11

3-Amino-4-chlorobenzoic acid, 98%, Thermo Scientific™

CAS: 2840-28-0 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007671 InChI Key: DMGFVJVLVZOSOE-UHFFFAOYSA-N Synonym: benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213 PubChem CID: 76092 IUPAC Name: 3-amino-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)Cl

PubChem CID 76092
CAS 2840-28-0
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007671
SMILES C1=CC(=C(C=C1C(=O)O)N)Cl
Synonym benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213
IUPAC Name 3-amino-4-chlorobenzoic acid
InChI Key DMGFVJVLVZOSOE-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
12

3-Amino-2,4,6-triiodobenzoic acid, 99% (dry wt.), water <4%

CAS: 3119-15-1 Molecular Formula: C7H3I3NNaO2 Molecular Weight (g/mol): 536.81 MDL Number: MFCD00007681 InChI Key: CTXRMWPLTDAHOR-UHFFFAOYSA-M Synonym: unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid PubChem CID: 18387 IUPAC Name: 3-amino-2,4,6-triiodobenzoic acid SMILES: [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I

PubChem CID 18387
CAS 3119-15-1
Molecular Weight (g/mol) 536.81
MDL Number MFCD00007681
SMILES [Na+].NC1=C(I)C=C(I)C(C([O-])=O)=C1I
Synonym unii-99h77d8mtd,3-amino-2,4,6-triiodo-benzoic acid,acido 3-amino-2,4,6-triiodobenzoico italian,benzoic acid, 3-amino-2,4,6-triiodo,3-amino-2,4,6-triiodo-benzoicacid,acido 3-amino-2,4,6-triiodobenzoico,pubchem4987,acmc-1co9w,4-14-00-01118 beilstein handbook reference,2,4,6-triiodo-3-aminobenzoic acid
IUPAC Name 3-amino-2,4,6-triiodobenzoic acid
InChI Key CTXRMWPLTDAHOR-UHFFFAOYSA-M
Molecular Formula C7H3I3NNaO2
13

3-Amino-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-68-7 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.14 MDL Number: MFCD00236641 InChI Key: WBTHOSZMTIPJLR-UHFFFAOYSA-N Synonym: 3-amino-5-trifluoromethyl benzoic acid,3-amino-5-trifluoromethyl benzoicacid,5-amino-3-trifluoromethyl benzoic acid,benzoic acid, 3-amino-5-trifluoromethyl,pubchem1359,acmc-209xwk,ksc495q1r,3-amino-5-carboxybenzotrifluoride,buttpark 25\01-23,3-carboxy-5-trifluoromethyl aniline PubChem CID: 609556 IUPAC Name: 3-amino-5-(trifluoromethyl)benzoic acid SMILES: NC1=CC(=CC(=C1)C(F)(F)F)C(O)=O

PubChem CID 609556
CAS 328-68-7
Molecular Weight (g/mol) 205.14
MDL Number MFCD00236641
SMILES NC1=CC(=CC(=C1)C(F)(F)F)C(O)=O
Synonym 3-amino-5-trifluoromethyl benzoic acid,3-amino-5-trifluoromethyl benzoicacid,5-amino-3-trifluoromethyl benzoic acid,benzoic acid, 3-amino-5-trifluoromethyl,pubchem1359,acmc-209xwk,ksc495q1r,3-amino-5-carboxybenzotrifluoride,buttpark 25\01-23,3-carboxy-5-trifluoromethyl aniline
IUPAC Name 3-amino-5-(trifluoromethyl)benzoic acid
InChI Key WBTHOSZMTIPJLR-UHFFFAOYSA-N
Molecular Formula C8H6F3NO2
14

Metoclopramide hydrochloride

CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N PubChem CID: 441347 ChEBI: CHEBI:6899 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

PubChem CID 441347
CAS 54143-57-6
Molecular Weight (g/mol) 354.27
ChEBI CHEBI:6899
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
15

3-Aminophthalic acid hydrochloride dihydrate, 96%

CAS: 1852533-96-0 Molecular Formula: C8H8ClNO4 Molecular Weight (g/mol): 217.605 MDL Number: MFCD00150282 InChI Key: ZBZAVEORKXFUQB-UHFFFAOYSA-N Synonym: 3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315 PubChem CID: 81375 IUPAC Name: 3-aminophthalic acid;hydrochloride SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl

PubChem CID 81375
CAS 1852533-96-0
Molecular Weight (g/mol) 217.605
MDL Number MFCD00150282
SMILES C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl
Synonym 3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315
IUPAC Name 3-aminophthalic acid;hydrochloride
InChI Key ZBZAVEORKXFUQB-UHFFFAOYSA-N
Molecular Formula C8H8ClNO4