Basic information
- CAS
21140-37-4- Standard SMILES
CN(C)Cc1cc(-c2ccccc2)ccc1O- InChIKey
UGUSLDBGJORUJU-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-ol, 3-((dimethylamino)methyl)-
- IUPAC
- 2-[(dimethylamino)methyl]-4-phenylphenol
- English name
- 3-[(Dimethylamino)methyl]biphenyl-4-ol
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
21140-37-4(1,1'-BIPHENYL)-4-OL, 3-((DIMETHYLAMINO)METHYL)-3-Dimethylaminomethyl-4-hydroxybiphenylBRN 2723632DTXSID601753843-((Dimethylamino)methyl)(1,1'-biphenyl)-4-ol4-13-00-02150 (Beilstein Handbook Reference)3-[(Dimethylamino)methyl][1,1'-biphenyl]-4-olRefChem:204034DTXCID00978752-[(dimethylamino)methyl]-4-phenylphenol3-[(Dimethylamino)methyl]biphenyl-4-ol
Show more names
[1,1'-Biphenyl]-4-ol, 3-[(dimethylamino)methyl]-
3-((Dimethylamino)methyl)biphenyl-4-ol
Database identifiers
- CAS
21140-37-4- PubChem CID
- 30499
- DTXSID
DTXSID60175384- Nikkaji
- J70.038J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 88 · 88-90 °C(Solv: ethanol (64-17-5))
- Boiling point
- 333.6 · 333.6±27.0 °C(Predicted)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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