Basic information
- CAS
18864-12-5- Standard SMILES
CC(C[NH2+]C(C)C(O)c1ccccc1)c1ccccc1.[Cl-]- InChIKey
XOEAHCPXKAXCFW-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1546421
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(1-((beta-methylphenethyl)amino)ethyl)-, hydrochloride
- IUPAC
- (1-hydroxy-1-phenylpropan-2-yl)-(2-phenylpropyl)azanium chloride
Names & synonyms
BS-40alpha-(1-((beta-Methylphenethyl)amino)ethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-((beta-METHYLPHENETHYL)AMINO)ETHYL)-, HYDROCHLORIDE18864-12-5RefChem:328589
Database identifiers
- CAS
18864-12-5- PubChem CID
- 29318
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…