Basic information
- CAS
4164-20-9- Standard SMILES
OC(CNCCc1ccccc1)c1ccccc1- InChIKey
LXTNZWGUMORTKT-UHFFFAOYSA-N- Molecular formula
- C16H19NO
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.14666423
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(phenethylamino)methyl-
- IUPAC
- 1-phenyl-2-(2-phenylethylamino)ethanol
- English name
- 2-(Phenethylamino)-1-phenyl-1-ethanol
- Molecular formula
- C16H19NO
- Molecular weight
- 241.33
Names & synonyms
4164-20-9BRN 1645059Ethanol, 2-phenethylamino-1-phenyl-BENZYL ALCOHOL, alpha-(PHENETHYLAMINO)METHYL-3-13-00-01662 (Beilstein Handbook Reference)RefChem:3286052-(phenethylamino)-1-phenylethanol2-(phenethylamino)-1-phenyl-1-ethanol1-phenyl-2-(2-phenylethylamino)ethanol1-phenyl-2-[(2-phenylethyl)amino]ethan-1-olMFCD017326542-(phenethylamino)-1-phenylethan-1-ol
Show more names
N-PHENYLETHYL-PHENYLETHANOL-AMINE1-Phenyl-2-(phenethylamino)ethanolalpha-(phenethylamino)methyl-benzylalcohoBenzenemethanol, α-[[(2-phenylethyl)amino]methyl]-
1-phenyl-2-[(2-phenylethyl)amino]ethanolBionet2_000437Cambridge id 6719978MLS000112187CHEMBL1368925SCHEMBL10720145DTXSID80961867HMS1365D19
Database identifiers
- CAS
4164-20-9- PubChem CID
- 20118
- DTXSID
DTXSID80961867- ChEMBL
CHEMBL1368925- Nikkaji
- J41.844G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 89.5 · 89.5-90 °C
- Boiling point
- 390.4 · 390.4±12.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.97 · 13.97±0.20(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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