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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4-Aminobenzoic acid, 99%

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

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PubChem CID	978
CAS	150-13-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:30753
MDL Number	MFCD00007894
SMILES	NC1=CC=C(C=C1)C(O)=O
Synonym	p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name	4-aminobenzoic acid
InChI Key	ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

PubChem CID	978
CAS	150-13-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:30753
MDL Number	MFCD00007894
SMILES	NC1=CC=C(C=C1)C(O)=O
Synonym	p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name	4-aminobenzoic acid
InChI Key	ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

3,5-Diaminobenzoic acid, 96%, may contain up to 3% moisture

CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

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PubChem CID	12062
CAS	535-87-5
Molecular Weight (g/mol)	152.153
MDL Number	MFCD00007807
SMILES	C1=C(C=C(C=C1N)N)C(=O)O
Synonym	benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid
IUPAC Name	3,5-diaminobenzoic acid
InChI Key	UENRXLSRMCSUSN-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

3,4-Diaminobenzoic acid, 97%

CAS: 619-05-6 Molecular Formula: C₇H₈N₂O₂ Molecular Weight (g/mol): 152.15 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

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PubChem CID	69263
CAS	619-05-6
Molecular Weight (g/mol)	152.15
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

4-Aminobenzoic acid sodium salt, 98%

CAS: 555-06-6 Molecular Formula: C7H6NNaO2 Molecular Weight (g/mol): 159.12 MDL Number: MFCD00064395 InChI Key: XETSAYZRDCRPJY-UHFFFAOYSA-M Synonym: sodium 4-aminobenzoate,sodium p-aminobenzoate,4-aminobenzoic acid sodium salt,sodium aminobenzoate,aminobenzoate sodium,antergyl,pabavit,benzoic acid, 4-amino-, monosodium salt,monosodium 4-aminobenzoate,unii-75ui7quz5j PubChem CID: 517441 IUPAC Name: sodium;4-aminobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])N.[Na+]

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PubChem CID	517441
CAS	555-06-6
Molecular Weight (g/mol)	159.12
MDL Number	MFCD00064395
SMILES	C1=CC(=CC=C1C(=O)[O-])N.[Na+]
Synonym	sodium 4-aminobenzoate,sodium p-aminobenzoate,4-aminobenzoic acid sodium salt,sodium aminobenzoate,aminobenzoate sodium,antergyl,pabavit,benzoic acid, 4-amino-, monosodium salt,monosodium 4-aminobenzoate,unii-75ui7quz5j
IUPAC Name	sodium;4-aminobenzoate
InChI Key	XETSAYZRDCRPJY-UHFFFAOYSA-M
Molecular Formula	C7H6NNaO2

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

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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

2,3-Diaminobenzoic acid, 95%

CAS: 603-81-6 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

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PubChem CID	198069
CAS	603-81-6
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-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

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Specifications

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

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

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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

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

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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

2-Amino-4-chlorobenzoic acid, 98%

CAS: 89-77-0 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007778 InChI Key: JYYLQSCZISREGY-UHFFFAOYSA-N Synonym: 4-chloroanthranilic acid,benzoic acid, 2-amino-4-chloro,4-chloro-2-aminobenzoic acid,anthranilic acid, 4-chloro,4-chloroanthranil acid,4-chloro anthranilic acid,2-carboxy-5-chloroaniline,unii-g55k85r12h,2-amino-4-chloro-benzoic acid,2,4-acba PubChem CID: 66646 IUPAC Name: 2-amino-4-chlorobenzoic acid SMILES: NC1=CC(Cl)=CC=C1C(O)=O

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Specifications

PubChem CID	66646
CAS	89-77-0
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007778
SMILES	NC1=CC(Cl)=CC=C1C(O)=O
Synonym	4-chloroanthranilic acid,benzoic acid, 2-amino-4-chloro,4-chloro-2-aminobenzoic acid,anthranilic acid, 4-chloro,4-chloroanthranil acid,4-chloro anthranilic acid,2-carboxy-5-chloroaniline,unii-g55k85r12h,2-amino-4-chloro-benzoic acid,2,4-acba
IUPAC Name	2-amino-4-chlorobenzoic acid
InChI Key	JYYLQSCZISREGY-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

2-Amino-5-fluorobenzoic acid, 97%

CAS: 446-08-2 Molecular Formula: C₇H₆FNO₂ Molecular Weight (g/mol): 155.13 MDL Number: MFCD00055566 InChI Key: FPQMGQZTBWIHDN-UHFFFAOYSA-N Synonym: 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo PubChem CID: 101412 ChEBI: CHEBI:78042 IUPAC Name: 2-amino-5-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)N

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Specifications

PubChem CID	101412
CAS	446-08-2
Molecular Weight (g/mol)	155.13
ChEBI	CHEBI:78042
MDL Number	MFCD00055566
SMILES	C1=CC(=C(C=C1F)C(=O)O)N
Synonym	5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo
IUPAC Name	2-amino-5-fluorobenzoic acid
InChI Key	FPQMGQZTBWIHDN-UHFFFAOYSA-N
Molecular Formula	C₇H₆FNO₂

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

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Specifications

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

2-Amino-3-methylbenzoic acid, 98%

CAS: 4389-45-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 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

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Specifications

PubChem CID	78101
CAS	4389-45-1
Molecular Weight (g/mol)	151.165
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

2-Amino-4-bromobenzoic acid, 97%

CAS: 20776-50-5 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD03618454 InChI Key: BNNICQAVXPXQAH-UHFFFAOYSA-N Synonym: 4-bromoanthranilic acid,benzoic acid, 2-amino-4-bromo,5-bromo-2-carboxyaniline,2-amino-4-bromo-benzoic acid,2-amino-4-brombenzoic acid,zlchem 336,pubchem13462,acmc-1cb3t,ksc207e6b,pharmabridge p-1344 PubChem CID: 88691 IUPAC Name: 2-amino-4-bromobenzoic acid SMILES: C1=CC(=C(C=C1Br)N)C(=O)O

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Specifications

PubChem CID	88691
CAS	20776-50-5
Molecular Weight (g/mol)	216.034
MDL Number	MFCD03618454
SMILES	C1=CC(=C(C=C1Br)N)C(=O)O
Synonym	4-bromoanthranilic acid,benzoic acid, 2-amino-4-bromo,5-bromo-2-carboxyaniline,2-amino-4-bromo-benzoic acid,2-amino-4-brombenzoic acid,zlchem 336,pubchem13462,acmc-1cb3t,ksc207e6b,pharmabridge p-1344
IUPAC Name	2-amino-4-bromobenzoic acid
InChI Key	BNNICQAVXPXQAH-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

Aminobenzoic acids and derivatives

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