Basic information
- CAS
66840-00-4- Standard SMILES
CCN(CC)Cc1cc(-c2ccccc2)ccc1O- InChIKey
XEFLSZGUWJUOQN-UHFFFAOYSA-N- Molecular formula
- C17H21NO
- Average molar mass
- 255.35 g/mol
- Monoisotopic mass
- 255.16231429
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-ol, 3-((diethylamino)methyl)-
- IUPAC
- 2-(diethylaminomethyl)-4-phenylphenol
- English name
- 3-[(Diethylamino)methyl]biphenyl-4-ol
- Molecular formula
- C17H21NO
- Molecular weight
- 255.35
Names & synonyms
BRN 32884593-Diethylaminomethyl-4-hydroxybiphenyl(1,1'-BIPHENYL)-4-OL, 3-((DIETHYLAMINO)METHYL)-66840-00-43-((Diethylamino)methyl)(1,1'-biphenyl)-4-olDTXSID602169633-13-00-01960 (Beilstein Handbook Reference)3-[(Diethylamino)methyl][1,1'-biphenyl]-4-olRefChem:204033DTXCID901394543-[(Diethylamino)methyl]biphenyl-4-ol[1,1'-Biphenyl]-4-ol, 3-[(diethylamino)methyl]-
Database identifiers
- CAS
66840-00-4- PubChem CID
- 48129
- DTXSID
DTXSID60216963- Nikkaji
- J70.036C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 363.8 · 363.8±27.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…