1-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-3-hydroxy-
Basic information
- CAS
68227-71-4- Standard SMILES
Nc1ccc(C(=O)Nc2ccc3cc(O)cc(S(=O)(=O)O)c3c2)cc1- InChIKey
PZSWEZPRWRUNGB-UHFFFAOYSA-N- Molecular formula
- C17H14N2O5S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.06234272
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-3-hydroxy-
- IUPAC
- 7-[(4-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulfonic acid
- English name
- 7-[(4-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulphonic acid
- Molecular formula
- C17H14N2O5S
- Molecular weight
- 358.37
Names & synonyms
1-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-hydroxy-EINECS 269-383-12-(4'-Aminobenzamido)-6-naphthol-8-sulfonic acidDTXSID10712962-(4'-Aminobenzoylamino)-6-naphthol-8-sulfonic acid1-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-3-hydroxy-RefChem:434965DTXCID104574668227-71-45U25BMV2VVSCHEMBL11427784PZSWEZPRWRUNGB-UHFFFAOYSA-N
Show more names
7-[(4-aminobenzoyl)amino]-3-hydroxynaphthalene-1-sulphonic acid
7-(4-AMINOBENZAMIDO)-3-HYDROXYNAPHTHALENE-1-SULFONIC ACID7-[(4-Aminobenzoyl)amino]-3-hydroxy-1-naphthalenesulfonic acidNS000365007-((4-Aminobenzoyl)amino)-3-hydroxynaphthalene-1-sulphonic acid
Database identifiers
- CAS
68227-71-4- PubChem CID
- 109846
- DTXSID
DTXSID1071296- UNII
- 5U25BMV2VV
- EC Number
- 269-383-1
- Nikkaji
- J289.055K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 582
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-hydroxy- (68227-71-4)
- 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 Information1-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-3-hydroxy-: INACTIVE
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Compound notes
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