Basic information
- CAS
18855-04-4- Standard SMILES
CC(C)C[NH2+]C(C)C(O)c1ccccc1.[Cl-]- InChIKey
SMHOFWWRACCYAD-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO
- Average molar mass
- 243.77 g/mol
- Monoisotopic mass
- 243.138992
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(1-(isobutylamino)ethyl)-, hydrochloride
- IUPAC
- (1-hydroxy-1-phenylpropan-2-yl)-(2-methylpropyl)azanium chloride
Names & synonyms
BS-36alpha-(1-(Isobutylamino)ethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-(ISOBUTYLAMINO)ETHYL)-, HYDROCHLORIDE18855-04-4RefChem:328594
Database identifiers
- CAS
18855-04-4- PubChem CID
- 29308
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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