alpha-(1-((2-Hydroxyethyl)amino)ethyl)benzyl alcohol hydrochloride

HCID 46248

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Basic information

CAS: 63991-20-8
Standard SMILES: CC([NH2+]CCO)C(O)c1ccccc1.[Cl-]
InChIKey: YGIPNGHJLVOBQO-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: alpha-(1-((2-Hydroxyethyl)amino)ethyl)benzyl alcohol hydrochloride
IUPAC: 2-hydroxyethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride

Names & synonyms

EINECS 264-595-0alpha-(1-((2-Hydroxyethyl)amino)ethyl)benzyl alcohol hydrochlorideNSC 95432BENZYL ALCOHOL, alpha-(1-(2-HYDROXYETHYLAMINO)ETHYL)), HYDROCHLORIDE, (+-)-

Database identifiers

CAS: 63991-20-8
PubChem CID: 46248

Properties

Computed structural properties

Topological polar surface area: 57.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 146

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