Ethoheptazine

CAS Registry Number®

77-15-6

CAS Name

Ethoheptazine

Molecular Formula

C16H23NO2

Molecular Mass

261.36

Cite this Page

Ethoheptazine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-15-6 (retrieved 2024-11-22) (CAS RN: 77-15-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    127-129 °C @ Press: 0.5 Torr

  • Melting Point (2)

    <25 °C

  • Density (1)

    1.038 g/cm³ @ Temp: 26 °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/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3

InChIKey

InChIKey=WGJHHMKQBWSQIY-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1(CCN(C)CCC1)C2=CC=CC=C2

Canonical SMILES

O=C(OCC)C1(C=2C=CC=CC2)CCN(C)CCC1

Other Names for this Substance

  • 1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
  • Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
  • Wy 401
  • 4-Carbethoxy-1-methyl-4-phenylazacycloheptane
  • 4-Carbethoxy-1-methyl-4-phenylhexamethylenimine

View All

Deleted or Replaced CAS Registry Numbers

1149-87-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration