2-Naphthalenesulfonic acid, 3-(2-(4-amino-2-methoxyphenyl)diazenyl)-4-hydroxy-6-((3-sulfophenyl)amino)-
Basic information
- CAS
75627-19-9- Standard SMILES
COc1cc(N)ccc1N=Nc1c(S(=O)(=O)O)cc2ccc(Nc3cccc(S(=O)(=O)O)c3)cc2c1O- InChIKey
PZCJXFKUNIYUTQ-UHFFFAOYSA-N- Molecular formula
- C23H20N4O8S2
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.07225596
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 3-(2-(4-amino-2-methoxyphenyl)diazenyl)-4-hydroxy-6-((3-sulfophenyl)amino)-
- IUPAC
- 3-[(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxy-6-(3-sulfoanilino)naphthalene-2-sulfonic acid
- English name
- 3-[(4-Amino-2-methoxyphenyl)azo]-4-hydroxy-6-[(3-sulfophenyl)amino]-2-naphthalenesulfonic acid
- Molecular formula
- C23H20N4O8S2
- Molecular weight
- 544.56
Names & synonyms
3-((4-Amino-2-methoxyphenyl)azo)-4-hydroxy-6-((3-sulfophenyl)amino)-2-naphthalenesulfonic acidDTXSID208884882-Naphthalenesulfonic acid, 3-((4-amino-2-methoxyphenyl)azo)-4-hydroxy-6-((3-sulfophenyl)amino)-2-Naphthalenesulfonic acid, 3-(2-(4-amino-2-methoxyphenyl)diazenyl)-4-hydroxy-6-((3-sulfophenyl)amino)-2-Naphthalenesulfonic acid, 3-[(4-amino-2-methoxyphenyl)azo]-4-hydroxy-6-[(3-sulfophenyl)amino]-2-Naphthalenesulfonic acid, 3-[2-(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxy-6-[(3-sulfophenyl)amino]-RefChem:476705DTXCID80102776675627-19-9PZCJXFKUNIYUTQ-UHFFFAOYSA-N3-[(4-Amino-2-methoxyphenyl)diazenyl]-4-hydroxy-6-(3-sulfoanilino)naphthalene-2-sulfonic acid3-[(4-Amino-2-methoxyphenyl)azo]-4-hydroxy-6-[(3-sulfophenyl)amino]-2-naphthalenesulfonic acid
Database identifiers
- CAS
75627-19-9- PubChem CID
- 173447
- DTXSID
DTXSID20888488
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Density
- 1.615 · 1.615±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.269 · -0.269±0.40(predicted)
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 3-[(4-amino-2-methoxyphenyl)azo]-4-hydroxy-6-[(3-sulfophenyl)amino]- (75627-19-9)
- 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, 3-[2-(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxy-6-[(3-sulfophenyl)amino]-: INACTIVE
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Compound notes
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