2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride
Basic information
- CAS
22820-57-1- Standard SMILES
CC(C)[NH2+]CC(O)CCc1ccccc1.[Cl-]- InChIKey
AMGCRUQHQDQXOG-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO
- Average molar mass
- 243.77 g/mol
- Monoisotopic mass
- 243.138992
Names & identifiers
- Preferred name
- 2-Butanol, 1-(isopropylamino)-4-phenyl-, hydrochloride
- IUPAC
- (2-hydroxy-4-phenylbutyl)-propan-2-ylazanium chloride
Names & synonyms
1-(Isopropylamino)-4-phenyl-2-butanol hydrochloride22820-57-12-BUTANOL, 1-(ISOPROPYLAMINO)-4-PHENYL-, HYDROCHLORIDERefChem:257752
Database identifiers
- CAS
22820-57-1- PubChem CID
- 31540
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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