2-(Methylamino)-3-phenylpentan-3-ol--hydrogen chloride (1/1)
Basic information
- CAS
25442-13-1- Standard SMILES
CCC(O)(c1ccccc1)C(C)[NH2+]C.[Cl-]- InChIKey
PYNRDGYXIVTZFX-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO
- Average molar mass
- 229.74 g/mol
- Monoisotopic mass
- 229.123342
Names & identifiers
- Preferred name
- 2-(Methylamino)-3-phenylpentan-3-ol--hydrogen chloride (1/1)
- IUPAC
- (3-hydroxy-3-phenylpentan-2-yl)-methylazanium chloride
Names & synonyms
25442-13-1DTXSID609483182-(Methylamino)-3-phenylpentan-3-ol--hydrogen chloride (1/1)RefChem:1061893DTXCID401376551BENZYL ALCOHOL, alpha-ETHYL-alpha-(1-(METHYLAMINO)ETHYL)-, HYDROCHLORIDEalpha-Ethyl-alpha-(1-(methylamino)ethyl)benzyl alcohol hydrochlorideBenzenemethanol, alpha-ethyl-alpha-(1-(methylamino)ethyl)-, hydrochloride
Database identifiers
- CAS
25442-13-1- PubChem CID
- 32996
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 166
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Compound notes
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