Basic information
- CAS
40960-63-2- Standard SMILES
CC(C)N[C@H](C)[C@H](C)c1ccccc1.Cl- InChIKey
ZARWHNZDQUCLGY-ZVWHLABXSA-N- Molecular formula
- C13H22ClN
- Average molar mass
- 227.77 g/mol
- Monoisotopic mass
- 227.1440774
Names & identifiers
- Preferred name
- 2-Isopropylamino-3-phenylbutane hydrochloride, erythro-
- IUPAC
- (2R,3R)-3-phenyl-N-propan-2-ylbutan-2-amine;hydrochloride
Names & synonyms
erythro-2-Isopropylamino-3-phenylbutane hydrochloride3PI9507Z4YUNII-3PI9507Z4Y2-Isopropylamino-3-phenylbutane hydrochloride, erythro-40960-63-2erythro-alpha,beta-Dimethyl-N-isopropyl-phenethylamine hydrochloridePhenethylamine, alpha,beta-dimethyl-N-isopropyl-, hydrochloride, erythro-BENZENEETHANAMINE, .ALPHA.,.BETA.-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.R,.BETA.R)-REL-BENZENEETHANAMINE, .ALPHA.,.BETA.-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE, (R*,R*)-RefChem:197818BENZENEETHANAMINE, ALPHA,BETA-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE, (R*,R*)-BENZENEETHANAMINE, .ALPHA.,.BETA.-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE, (R*,R*)-(+-)-
Show more names
BENZENEETHANAMINE, ALPHA,BETA-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE (1:1), (ALPHAR,BETAR)-REL-BENZENEETHANAMINE, ALPHA,BETA-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE, (R*,R*)-(+-)-Q27257865BENZENEETHANAMINE, .ALPHA.,.BETA.-DIMETHYL-N-(1-METHYLETHYL)-, HYDROCHLORIDE, (R*,R*)-(+/-)-
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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