2-(Pentylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1)
Basic information
- CAS
63990-97-6- Standard SMILES
CCCCC[NH2+]C(C)C(O)c1ccccc1.[Cl-]- InChIKey
UJRZYZOZJMDYJL-UHFFFAOYSA-N- Molecular formula
- C14H24ClNO
- Average molar mass
- 257.8 g/mol
- Monoisotopic mass
- 257.1546421
Names & identifiers
- Preferred name
- 2-(Pentylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1)
- IUPAC
- (1-hydroxy-1-phenylpropan-2-yl)-pentylazanium chloride
Names & synonyms
63990-97-6DTXSID109817952-(Pentylamino)-1-phenylpropan-1-ol--hydrogen chloride (1/1)RefChem:1061965DTXCID901409064(+-)-alpha-(1-(Pentylamino)ethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-(PENTYLAMINO)ETHYL)-, HYDROCHLORIDE, (+-)-
Database identifiers
- CAS
63990-97-6- PubChem CID
- 46213
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 166
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Compound notes
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