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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

2-Amino-3,5-dibromobenzoic acid, Thermo Scientific™

CAS: 609-85-8 Molecular Formula: C7H5Br2NO2 Molecular Weight (g/mol): 294.93 MDL Number: MFCD00017087 InChI Key: WNABMWFLKQEGCP-UHFFFAOYSA-N Synonym: 3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128 PubChem CID: 219491 IUPAC Name: 2-amino-3,5-dibromobenzoic acid SMILES: NC1=C(Br)C=C(Br)C=C1C(O)=O

PubChem CID 219491
CAS 609-85-8
Molecular Weight (g/mol) 294.93
MDL Number MFCD00017087
SMILES NC1=C(Br)C=C(Br)C=C1C(O)=O
Synonym 3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128
IUPAC Name 2-amino-3,5-dibromobenzoic acid
InChI Key WNABMWFLKQEGCP-UHFFFAOYSA-N
Molecular Formula C7H5Br2NO2
2

2-Amino-4-methylbenzoic acid, 95%, Thermo Scientific™

CAS: 2305-36-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00047853 InChI Key: RPGKFFKUTVJVPY-UHFFFAOYSA-N Synonym: 4-methylanthranilic acid,benzoic acid, 2-amino-4-methyl,2-amino-4-methyl-benzoic acid,2-amino-p-toluic acid,3-amino-4-carboxytoluene,2-carboxy-5-methylaniline,p-toluic acid, 2-amino,rarechem al bo 0820,benzoic acid, 2-amino-4-methyl-9ci,2-azanyl-4-methyl-benzoic acid PubChem CID: 75316 IUPAC Name: 2-amino-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)N

PubChem CID 75316
CAS 2305-36-4
Molecular Weight (g/mol) 151.165
MDL Number MFCD00047853
SMILES CC1=CC(=C(C=C1)C(=O)O)N
Synonym 4-methylanthranilic acid,benzoic acid, 2-amino-4-methyl,2-amino-4-methyl-benzoic acid,2-amino-p-toluic acid,3-amino-4-carboxytoluene,2-carboxy-5-methylaniline,p-toluic acid, 2-amino,rarechem al bo 0820,benzoic acid, 2-amino-4-methyl-9ci,2-azanyl-4-methyl-benzoic acid
IUPAC Name 2-amino-4-methylbenzoic acid
InChI Key RPGKFFKUTVJVPY-UHFFFAOYSA-N
Molecular Formula C8H9NO2
3

4-(4-Methylpiperazino)benzoic acid, 97%, Thermo Scientific™

CAS: 86620-62-4 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.272 MDL Number: MFCD02682063 InChI Key: UCFZVQHKTRSZMM-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p PubChem CID: 736532 IUPAC Name: 4-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O

PubChem CID 736532
CAS 86620-62-4
Molecular Weight (g/mol) 220.272
MDL Number MFCD02682063
SMILES CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O
Synonym 4-4-methylpiperazin-1-yl benzoic acid,4-4-methylpiperazino benzoic acid,4-4-methyl-piperazin-1-yl-benzoic acid,4-4-methylpiperazinyl benzoic acid,4-4-methyl-piperazino benzoic acid,benzoic acid, 4-4-methyl-1-piperazinyl,4-4-methyl-1-piperazinyl benzoic acid,pubchem10481,ksc448o3p
IUPAC Name 4-(4-methylpiperazin-1-yl)benzoic acid
InChI Key UCFZVQHKTRSZMM-UHFFFAOYSA-N
Molecular Formula C12H16N2O2
4

3,5-Dibromoanthranilic acid, 98+%, Thermo Scientific™

CAS: 609-85-8 Molecular Formula: C7H5Br2NO2 Molecular Weight (g/mol): 294.93 MDL Number: MFCD00017087 InChI Key: WNABMWFLKQEGCP-UHFFFAOYSA-N Synonym: 3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128 PubChem CID: 219491 IUPAC Name: 2-amino-3,5-dibromobenzoic acid SMILES: NC1=C(Br)C=C(Br)C=C1C(O)=O

PubChem CID 219491
CAS 609-85-8
Molecular Weight (g/mol) 294.93
MDL Number MFCD00017087
SMILES NC1=C(Br)C=C(Br)C=C1C(O)=O
Synonym 3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128
IUPAC Name 2-amino-3,5-dibromobenzoic acid
InChI Key WNABMWFLKQEGCP-UHFFFAOYSA-N
Molecular Formula C7H5Br2NO2
5

2-Amino-3-bromobenzoic acid, 97%, Thermo Scientific™

CAS: 20776-51-6 Molecular Formula: C7H5BrNO2 Molecular Weight (g/mol): 215.03 MDL Number: MFCD03618453 InChI Key: SRIZNTFPBWRGPB-UHFFFAOYSA-M Synonym: 3-bromoanthralic acid,2-amino-3-bromo-benzoic acid,benzoic acid, 2-amino-3-bromo,3-bromoanthranilic acid,2-amino-3-bromobenzoicacid,2-amino-3-bromo benzoic acid,buttpark 49\07-48,2-amino-3-bromo-benzoicacid,zlchem 426 PubChem CID: 270259 IUPAC Name: 2-amino-3-bromobenzoic acid SMILES: NC1=C(Br)C=CC=C1C([O-])=O

PubChem CID 270259
CAS 20776-51-6
Molecular Weight (g/mol) 215.03
MDL Number MFCD03618453
SMILES NC1=C(Br)C=CC=C1C([O-])=O
Synonym 3-bromoanthralic acid,2-amino-3-bromo-benzoic acid,benzoic acid, 2-amino-3-bromo,3-bromoanthranilic acid,2-amino-3-bromobenzoicacid,2-amino-3-bromo benzoic acid,buttpark 49\07-48,2-amino-3-bromo-benzoicacid,zlchem 426
IUPAC Name 2-amino-3-bromobenzoic acid
InChI Key SRIZNTFPBWRGPB-UHFFFAOYSA-M
Molecular Formula C7H5BrNO2
6

4-Amino-3-(trifluoromethoxy)benzoic acid, 95%, Thermo Scientific™

CAS: 175278-22-5 Molecular Formula: C8H6F3NO3 Molecular Weight (g/mol): 221.135 InChI Key: IXJFWBNYFTWBOR-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethoxy benzoic acid,rarechem al bo 0798,buttpark 83\07-32,4-amino-3-trifluoromethoxy-benzoic acid,4-amine-3-trifluoromethoxy benzoic acid,benzoic acid, 4-amino-3-trifluoromethoxy,4-amino-3-trifluoromethoxybenzoicacid,pubchem14042,acmc-209e9s PubChem CID: 2735951 IUPAC Name: 4-amino-3-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N

PubChem CID 2735951
CAS 175278-22-5
Molecular Weight (g/mol) 221.135
SMILES C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N
Synonym 4-amino-3-trifluoromethoxy benzoic acid,rarechem al bo 0798,buttpark 83\07-32,4-amino-3-trifluoromethoxy-benzoic acid,4-amine-3-trifluoromethoxy benzoic acid,benzoic acid, 4-amino-3-trifluoromethoxy,4-amino-3-trifluoromethoxybenzoicacid,pubchem14042,acmc-209e9s
IUPAC Name 4-amino-3-(trifluoromethoxy)benzoic acid
InChI Key IXJFWBNYFTWBOR-UHFFFAOYSA-N
Molecular Formula C8H6F3NO3
7

2-Amino-5-iodobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 5326-47-6 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00007849 InChI Key: GOLGILSVWFKZRQ-UHFFFAOYSA-N Synonym: 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid PubChem CID: 72911 IUPAC Name: 2-amino-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)N

PubChem CID 72911
CAS 5326-47-6
Molecular Weight (g/mol) 263.03
MDL Number MFCD00007849
SMILES C1=CC(=C(C=C1I)C(=O)O)N
Synonym 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid
IUPAC Name 2-amino-5-iodobenzoic acid
InChI Key GOLGILSVWFKZRQ-UHFFFAOYSA-N
Molecular Formula C7H6INO2
8

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
9

2-Amino-3-methylbenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 4389-45-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00007745 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
CAS 4389-45-1
Molecular Weight (g/mol) 151.16
ChEBI CHEBI:80574
MDL Number MFCD00007745
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
10

2-Amino-3,5-dimethylbenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 14438-32-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00017099 InChI Key: GIMYRAQQQBFFFJ-UHFFFAOYSA-N Synonym: 3,5-dimethylanthranilic acid,2-amino-3,5-dimethyl-benzoic acid,2-amino-3,5-dimethyl benzoic acid,benzoic acid, 2-amino-3,5-dimethyl,pubchem4685,3,5-dimethylanthranilic,acmc-1bqlm,intermediates-zcf02106,bidd:gt0362,2-amino-3,5-dimethylbenzoicacid PubChem CID: 259834 IUPAC Name: 2-amino-3,5-dimethylbenzoic acid SMILES: CC1=CC(=C(C(=C1)C(=O)O)N)C

PubChem CID 259834
CAS 14438-32-5
Molecular Weight (g/mol) 165.192
MDL Number MFCD00017099
SMILES CC1=CC(=C(C(=C1)C(=O)O)N)C
Synonym 3,5-dimethylanthranilic acid,2-amino-3,5-dimethyl-benzoic acid,2-amino-3,5-dimethyl benzoic acid,benzoic acid, 2-amino-3,5-dimethyl,pubchem4685,3,5-dimethylanthranilic,acmc-1bqlm,intermediates-zcf02106,bidd:gt0362,2-amino-3,5-dimethylbenzoicacid
IUPAC Name 2-amino-3,5-dimethylbenzoic acid
InChI Key GIMYRAQQQBFFFJ-UHFFFAOYSA-N
Molecular Formula C9H11NO2
11

4-Amino-3-fluorobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 455-87-8 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD01660374 InChI Key: JSKXHTHMCCDEGD-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzoic acid,benzoic acid, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarboxylic acid,4-amino-3-fluoro-benzoic acid,4-amino-3-fluorobenzoicacid,pubchem3524,wln: zr bf dvq,acmc-209k3i,3-14-00-01153 beilstein handbook reference,buttpark 44\09-60 PubChem CID: 9971 IUPAC Name: 4-amino-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)N

PubChem CID 9971
CAS 455-87-8
Molecular Weight (g/mol) 155.128
MDL Number MFCD01660374
SMILES C1=CC(=C(C=C1C(=O)O)F)N
Synonym 3-fluoro-4-aminobenzoic acid,benzoic acid, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarboxylic acid,4-amino-3-fluoro-benzoic acid,4-amino-3-fluorobenzoicacid,pubchem3524,wln: zr bf dvq,acmc-209k3i,3-14-00-01153 beilstein handbook reference,buttpark 44\09-60
IUPAC Name 4-amino-3-fluorobenzoic acid
InChI Key JSKXHTHMCCDEGD-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
12

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
13

2-(4-Methylpiperazin-1-yl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 159589-70-5 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.27 MDL Number: MFCD01788118 InChI Key: WKGFDTBUUBBWJZ-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl benzoic acid,2-4-methyl-piperazin-1-yl-benzoic acid,2-4-methyl-1-piperazinyl benzoic acid,1-2-carboxyphenyl-4-methylpiperazine,2-4-methylpiperazinyl benzoic acid,4-methyl-piperazin-1-yl-benzoic acid,2-4-methylpiperazin-1-yl benzoicacid,benzoic acid,2-4-methyl-1-piperazinyl,benzoic acid, 2-4-methyl-1-piperazinyl PubChem CID: 1120459 IUPAC Name: 2-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C1=CC=CC=C1C(O)=O

PubChem CID 1120459
CAS 159589-70-5
Molecular Weight (g/mol) 220.27
MDL Number MFCD01788118
SMILES CN1CCN(CC1)C1=CC=CC=C1C(O)=O
Synonym 2-4-methylpiperazin-1-yl benzoic acid,2-4-methyl-piperazin-1-yl-benzoic acid,2-4-methyl-1-piperazinyl benzoic acid,1-2-carboxyphenyl-4-methylpiperazine,2-4-methylpiperazinyl benzoic acid,4-methyl-piperazin-1-yl-benzoic acid,2-4-methylpiperazin-1-yl benzoicacid,benzoic acid,2-4-methyl-1-piperazinyl,benzoic acid, 2-4-methyl-1-piperazinyl
IUPAC Name 2-(4-methylpiperazin-1-yl)benzoic acid
InChI Key WKGFDTBUUBBWJZ-UHFFFAOYSA-N
Molecular Formula C12H16N2O2
14

3-(4-Methylpiperazin-1-yl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 215309-01-6 Molecular Formula: C12H16N2O2 Molecular Weight (g/mol): 220.27 MDL Number: MFCD06742238 InChI Key: HALATUFUWLWCQV-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl benzoic acid,3-4-methylpiperazin-1-yl benzoicacid,benzoicacid, 3-4-methyl-1-piperazinyl,zlchem 853,pubchem12997,acmc-209fli,r-1-fmoc-3-hydroxypyrrolidine,3-4-methylpiperazinyl benzoic acid,3-4-methylpiperazinyl-benzoic acid,3-4-methyl-1-piperazinyl benzoic acid PubChem CID: 4741681 IUPAC Name: 3-(4-methylpiperazin-1-yl)benzoic acid SMILES: CN1CCN(CC1)C1=CC=CC(=C1)C(O)=O

PubChem CID 4741681
CAS 215309-01-6
Molecular Weight (g/mol) 220.27
MDL Number MFCD06742238
SMILES CN1CCN(CC1)C1=CC=CC(=C1)C(O)=O
Synonym 3-4-methylpiperazin-1-yl benzoic acid,3-4-methylpiperazin-1-yl benzoicacid,benzoicacid, 3-4-methyl-1-piperazinyl,zlchem 853,pubchem12997,acmc-209fli,r-1-fmoc-3-hydroxypyrrolidine,3-4-methylpiperazinyl benzoic acid,3-4-methylpiperazinyl-benzoic acid,3-4-methyl-1-piperazinyl benzoic acid
IUPAC Name 3-(4-methylpiperazin-1-yl)benzoic acid
InChI Key HALATUFUWLWCQV-UHFFFAOYSA-N
Molecular Formula C12H16N2O2