Basic information
- CAS
88461-71-6- Standard SMILES
CCC[NH2+]CC(O)c1cccc(O)c1.[Cl-]- InChIKey
WTAYSEVRJHWWIQ-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO2
- Average molar mass
- 231.72 g/mol
- Monoisotopic mass
- 231.1026065
Names & identifiers
- Preferred name
- Benzyl alcohol, 3-hydroxy-alpha-((propylamino)methyl)-, hydrochloride
- IUPAC
- [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-propylazanium chloride
Names & synonyms
3-Hydroxy-alpha-((propylamino)methyl)benzyl alcohol hydrochloride88461-71-6BENZYL ALCOHOL, 3-HYDROXY-alpha-((PROPYLAMINO)METHYL)-, HYDROCHLORIDERefChem:328548
Database identifiers
- CAS
88461-71-6- PubChem CID
- 55810
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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