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(±)-Doxylamine

CAS Registry Number®

469-21-6

CAS Name

(±)-Doxylamine

Molecular Formula

C17H22N2O

Molecular Mass

270.37

Cite this Page

(±)-Doxylamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=469-21-6 (retrieved 2024-11-23) (CAS RN: 469-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    137-141 °C @ Press: 0.5 Torr

  • Melting Point (2)

    <25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3

InChIKey

InChIKey=HCFDWZZGGLSKEP-UHFFFAOYSA-N

SMILES

C(OCCN(C)C)(C)(C1=CC=CC=C1)C2=CC=CC=N2

Canonical SMILES

N=1C=CC=CC1C(OCCN(C)C)(C=2C=CC=CC2)C

Other Names for this Substance

  • Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
  • Pyridine, 2-[α-[2-(dimethylamino)ethoxy]-α-methylbenzyl]-
  • N,N-Dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine
  • Doxylamine
  • 2-[α-[2-(Dimethylamino)ethoxy]-α-methylbenzyl]pyridine

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Deleted or Replaced CAS Registry Numbers

102737-83-7

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