Basic information
- CAS
55688-38-5- Standard SMILES
CC(C)[NH2+]CC(O)c1cccc(O)c1.[Cl-]- InChIKey
QWELSVCCXLINHO-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO2
- Average molar mass
- 231.72 g/mol
- Monoisotopic mass
- 231.1026065
Overview
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Names & identifiers
- Preferred name
- Benzenemethanol, 3-hydroxy-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride
- IUPAC
- [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-propan-2-ylazanium chloride
Names & synonyms
Benzenemethanol, 3-hydroxy-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride3-Hydroxy-alpha-isopropylaminomethylbenzyl alcohol hydrochloride5H4J5E7HXDNSC 1419671-(3-Hydroxyphenyl)-2-isopropylaminoethanol hydrochlorideUNII-5H4J5E7HXD
Database identifiers
- CAS
55688-38-5- PubChem CID
- 41530
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
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Compound notes
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