Benzyl alcohol, o-(alpha-(2-(dimethylamino)ethoxy)benzyl)-

HCID 33349

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Basic information

CAS: 26180-01-8
Standard SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1CO
InChIKey: NPLVDQJNYFILJF-UHFFFAOYSA-N
Molecular formula: C18H23NO2
Average molar mass: 285.4 g/mol
Monoisotopic mass: 285.17287898

Names & identifiers

Preferred name: Benzyl alcohol, o-(alpha-(2-(dimethylamino)ethoxy)benzyl)-
IUPAC: [2-[2-(dimethylamino)ethoxy-phenylmethyl]phenyl]methanol
English name: o-[α-[2-(Dimethylamino)ethoxy]benzyl]benzenemethanol
Molecular formula: C18H23NO2
Molecular weight: 285.38

Names & synonyms

o-(alpha-(2-(Dimethylamino)ethoxy)benzyl)benzyl alcoholBRN 259550326180-01-8BENZYL ALCOHOL, o-(alpha-(2-(DIMETHYLAMINO)ETHOXY)BENZYL)-RefChem:328618[2-[2-(dimethylamino)ethoxy-phenylmethyl]phenyl]methanolDTXSID90949055(2-{[2-(DIMETHYLAMINO)ETHOXY](PHENYL)METHYL}PHENYL)METHANOLo-[α-[2-(Dimethylamino)ethoxy]benzyl]benzenemethanolBenzenemethanol, 2-[[2-(dimethylamino)ethoxy]phenylmethyl]-

Database identifiers

CAS: 26180-01-8
PubChem CID: 33349
DTXSID: DTXSID90949055
Nikkaji: J41.851J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 276

Physicochemical properties

Boiling point: 404.6 · 404.6±40.0 °C(Predicted)
Density: 1.084 · 1.084±0.06 g/cm3(Predicted)
pka: 14.27 · 14.27±0.10(Predicted)

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