Basic information
- CAS
63991-38-8- Standard SMILES
CCCC[NH2+]CC(O)c1ccccc1.[Cl-]- InChIKey
IBQXSHMLSZXUHF-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO
- Average molar mass
- 229.74 g/mol
- Monoisotopic mass
- 229.123342
Names & identifiers
- Preferred name
- 2-(Butylamino)-1-phenylethan-1-ol--hydrogen chloride (1/1)
- IUPAC
- butyl-(2-hydroxy-2-phenylethyl)azanium chloride
Names & synonyms
63991-38-8DTXSID609818212-(Butylamino)-1-phenylethan-1-ol--hydrogen chloride (1/1)RefChem:1061501DTXCID901409090BENZYL ALCOHOL, alpha-BUTYLAMINOMETHYL, HYDROCHLORIDE, (+-)-
Database identifiers
- CAS
63991-38-8- PubChem CID
- 46272
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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