1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (S)-
Basic information
- CAS
112767-77-8- Standard SMILES
CC[C@H](CO)[NH2+]Cc1ccccc1Cl.[Cl-]- InChIKey
ORJGAUNQLJLYSA-HNCPQSOCSA-N- Molecular formula
- C11H17Cl2NO
- Average molar mass
- 250.16 g/mol
- Monoisotopic mass
- 249.0687196
Names & identifiers
- Preferred name
- 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (S)-
- IUPAC
- (2-chlorophenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium chloride
Names & synonyms
112767-77-81-BUTANOL, 2-(((2-CHLOROPHENYL)METHYL)AMINO)-, HYDROCHLORIDE, (S)-RefChem:1055095(S)-2-(((2-Chlorophenyl)methyl)amino)-1-butanol hydrochloride
Database identifiers
- CAS
112767-77-8- PubChem CID
- 60565
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
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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