7-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid

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Basic information

CAS: 119-77-7
Standard SMILES: Nc1ccc(C(=O)Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)cc1
InChIKey: BRIUJVAXLMLKPY-UHFFFAOYSA-N
Molecular formula: C17H14N2O5S
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.06234272

Names & identifiers

Preferred name: 7-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid
IUPAC: 7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
English name: 7-(4-aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid
Molecular formula: C17H14N2O5S
Molecular weight: 358.36846

Names & synonyms

119-77-7PAB J Acid2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-7-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulfonic acid4B2M4HX3E27-(p-Aminobenzamido)-4-hydroxy-2-naphthalenesulfonic acidNSC 1742NSC-1742EINECS 204-350-77-(4-Aminobenzamido)-4-hydroxynaphthalene-2-sulphonic acidDTXSID10594962-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-4-hydroxy-

Show more names

7-[(4-Amino)benzamido]-4-hydroxynaphthalin-2-sulfonsure7-(4-Aminobenzamido)-4-hydroxy-2-naphthalenesulfonic acid1-Hydroxy-6-(4-aminobenzoylamino)-3-naphthalenesulfonic acid7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid7-[(4-aminobenzoyl)amino]-4-hydroxy-naphthalene-2-sulfonic acid7-[(4-azanylphenyl)carbonylamino]-4-hydroxy-naphthalene-2-sulfonic acid

2-Naphthalenesulfonic acid, 7-(p-aminobenzamido)-4-hydroxy-7-(P-AMINOBENZAMIDO)-4-HYDROXY-2-NAPHTHALENESULPHONIC ACID2-NAPHTHALENESULPHONIC ACID, 7-((4-AMINOBENZOYL)AMINO)-4-HYDROXY-7-((4-AMINOBENZOYL)AMINO)-4-HYDROXY-2-NAPHTHALENESULFONIC ACIDRefChem:545123DTXCID9033474CHEMBL-17163652-Naphthalenesulfonic acid, 7-(p-aminobenzamido)-4-hydroxy-(8CI)

Database identifiers

CAS: 119-77-7
PubChem CID: 67074
DTXSID: DTXSID1059496
ChEMBL: CHEMBL1716365
UNII: 4B2M4HX3E2
EC Number: 204-350-7
Nikkaji: J53.395E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 138 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 582

Physicochemical properties

FDA UNII: 4 B2M4HX3E2 · 4B2M4HX3E2
EPA Substance Registry System: 2 · 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy- (119-77-7)
TSCA: TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-: INACTIVE

Upstream & downstream products

Downstream products

disodium 4-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate disodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-[[4-[(2,4-dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-4-hydroxy-, disodium salt Benzoic acid, 5-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]phenyl]azo]-2-hydroxy-, disodium salt disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate disodium 1-(3-aminophenyl)-4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]phenyl]azo]-5-oxo-1H-pyrazole-3-carboxylate [4-Chloro-2-[[1-hydroxy-6-[[4-[(8-hydroxy-5-quinolinyl)azo]benzoyl]amino]-3-sulfo-2-naphtyl]azo]phenoxy]acetic acid 1-Naphthalenesulfonic acid, 6-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-8-hydroxy-6-sulfo-1-naphthalenyl]azo]-, trisodium salt Direct Orange 5 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulfophenyl)azo]phenyl]azo]-, disodium salt 3-[[4-[[6-[(4-Aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphtyl]azo]-3,5-dimethylphenyl]azo]-1,5-naphthalenedisulfonic acid trisodium salt 7-[[4-[(2,4-Diamino-5-nitrophenyl)azo]benzoyl]amino]-4-hydroxy-3-[(4-sodiosulfophenyl)azo]naphthalene-2-sulfonic acid sodium salt

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Compound notes

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