3-(Methylamino)-2-phenylbutan-2-ol--hydrogen chloride (1/1)
Basic information
- CAS
100054-41-9- Standard SMILES
C[NH2+]C(C)C(C)(O)c1ccccc1.[Cl-]- InChIKey
RBWZXMHQXLHMDH-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO
- Average molar mass
- 215.72 g/mol
- Monoisotopic mass
- 215.1076919
Names & identifiers
- Preferred name
- 3-(Methylamino)-2-phenylbutan-2-ol--hydrogen chloride (1/1)
- IUPAC
- (3-hydroxy-3-phenylbutan-2-yl)-methylazanium chloride
Names & synonyms
100054-41-9DTXSID309051903-(Methylamino)-2-phenylbutan-2-ol--hydrogen chloride (1/1)RefChem:1067177DTXCID201334298alpha-Methyl-alpha-(1-(methylamino)ethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-METHYL-alpha-(1-(METHYLAMINO)ETHYL)-, HYDROCHLORIDE
Database identifiers
- CAS
100054-41-9- PubChem CID
- 57616
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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