Benzenemethanol, alpha-(1-aminoethyl)-alpha-methyl-, hydrochloride (1:1)
Basic information
- CAS
104294-61-3- Standard SMILES
CC([NH3+])C(C)(O)c1ccccc1.[Cl-]- InChIKey
KLNDSWALQXWNPY-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO
- Average molar mass
- 201.69 g/mol
- Monoisotopic mass
- 201.0920418
Names & identifiers
- Preferred name
- Benzenemethanol, alpha-(1-aminoethyl)-alpha-methyl-, hydrochloride (1:1)
- IUPAC
- (3-hydroxy-3-phenylbutan-2-yl)azanium chloride
Names & synonyms
104294-61-3RefChem:1078555Benzenemethanol, alpha-(1-aminoethyl)-alpha-methyl-, hydrochloride (1:1)alpha-(1-Aminoethyl)-alpha-methylbenzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-AMINOETHYL)-alpha-METHYL-, HYDROCHLORIDE(3-hydroxy-3-phenylbutan-2-yl)azanium;chloride
Database identifiers
- CAS
104294-61-3- PubChem CID
- 59829
Properties
Computed structural properties
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
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Compound notes
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