Benzyl alcohol, alpha-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, hydrochloride

HCID 37504

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Basic information

CAS: 36674-59-6
Standard SMILES: CC(C)(C)[NH2+]CC(O)c1cccc(O)c1.[Cl-]
InChIKey: ZGRQCKBBCGTZFS-UHFFFAOYSA-N
Molecular formula: C12H20ClNO2
Average molar mass: 245.74 g/mol
Monoisotopic mass: 245.1182566

Names & identifiers

Preferred name: Benzyl alcohol, alpha-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, hydrochloride
IUPAC: tert-butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride

Names & synonyms

Benzyl alcohol, alpha-(((1,1-dimethylethyl)amino)methyl)-3-hydroxy-, hydrochloride36674-59-6RefChem:1079435alpha-(((1,1-Dimethylethyl)amino)methyl)-3-hydroxybenzyl alcohol hydrochlorideNSC 206577

Database identifiers

CAS: 36674-59-6
PubChem CID: 37504

Properties

Computed structural properties

Topological polar surface area: 57.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 189

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