Basic information
- CAS
6421-80-3- Standard SMILES
O=S(=O)(O)c1ccc(Nc2ccc(Nc3ccc(O)cc3)cc2)cc1- InChIKey
SLPOAOGIPUBKLV-UHFFFAOYSA-N- Molecular formula
- C18H16N2O4S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.08307817
Names & identifiers
- Preferred name
- 4-((4-((4-Hydroxyphenyl)amino)phenyl)amino)benzenesulphonic acid
- IUPAC
- 4-[4-(4-hydroxyanilino)anilino]benzenesulfonic acid
- English name
- 4-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]benzenesulphonic acid
- Molecular formula
- C18H16N2O4S
- Molecular weight
- 356.4
Names & synonyms
6421-80-34-((4-((4-Hydroxyphenyl)amino)phenyl)amino)benzenesulphonic acid4-[4-(4-hydroxyanilino)anilino]benzenesulfonic acidEINECS 229-172-7SCHEMBL11320674DTXSID00214423SLPOAOGIPUBKLV-UHFFFAOYSA-NNS000356554-[4-(4-Hydroxyanilino)anilino]benzene-1-sulfonic acid4-(4-hydroxyanilino)diphenylamine-4'-sulfonic acid4-[4-(4-Hydroxyanilino)phenylamino]benzenesulfonic acid4-[[4-[(4-Hydroxyphenyl)amino]phenyl]amino]benzenesulfonic acid
Show more names
4-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]benzenesulphonic acidBenzenesulfonic acid, 4-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]-
Database identifiers
- CAS
6421-80-3- PubChem CID
- 80890
- DTXSID
DTXSID00214423
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- -0.26 · -0.26±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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