2-(Methylamino)-1-phenylpentan-1-ol--hydrogen chloride (1/1)
Basic information
- CAS
63991-25-3- Standard SMILES
CCCC([NH2+]C)C(O)c1ccccc1.[Cl-]- InChIKey
DBMBOQURAYUHGJ-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO
- Average molar mass
- 229.74 g/mol
- Monoisotopic mass
- 229.123342
Names & identifiers
- Preferred name
- 2-(Methylamino)-1-phenylpentan-1-ol--hydrogen chloride (1/1)
- IUPAC
- (1-hydroxy-1-phenylpentan-2-yl)-methylazanium chloride
Names & synonyms
63991-25-3DTXSID709818122-(Methylamino)-1-phenylpentan-1-ol--hydrogen chloride (1/1)RefChem:1061890DTXCID001409081(+-)-alpha-(1-(Methylamino)butyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-(METHYLAMINO)BUTYL)-, HYDROCHLORIDE, (+-)-
Database identifiers
- CAS
63991-25-3- PubChem CID
- 46254
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 143
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Compound notes
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