Basic information
- CAS
101-74-6- Standard SMILES
Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1- InChIKey
JWKZWDVKRDSMLD-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- Phenol, 4-((4-(phenylamino)phenyl)amino)-
- IUPAC
- 4-(4-anilinoanilino)phenol
- English name
- p-(p-anilinoanilino)phenol
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
101-74-6Phenol, 4-[[4-(phenylamino)phenyl]amino]-EINECS 202-971-84-[[4-(phenylamino)phenyl]amino]phenol4-((4-(Phenylamino)phenyl)amino)phenolDTXSID6059237Phenol, 4-((4-(phenylamino)phenyl)amino)-RefChem:861176DTXCID9032587p-(p-Anilinoanilino)phenol4-(4-anilinoanilino)phenolUK5KTY99EQ
Show more names
4-[[4-(phenylamino)phenyl]amino]-PhenolN-(4-Hydroxyphenyl)-N''-phenyl-p-phenylenediamine
SCHEMBL585745Phenol, p-(p-anilinoanilino)-SCHEMBL10999228JWKZWDVKRDSMLD-UHFFFAOYSA-NNS00023082
Database identifiers
- CAS
101-74-6- PubChem CID
- 66871
- DTXSID
DTXSID6059237- UNII
- UK5KTY99EQ
- EC Number
- 202-971-8
- Nikkaji
- J29.627I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 484.6 · 484.6±20.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.26(Predicted)
- EPA Substance Registry System
- 4 · Phenol, 4-[[4-(phenylamino)phenyl]amino]- (101-74-6)
- 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 InformationPhenol, 4-[[4-(phenylamino)phenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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