1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione

CAS Registry Number®

78553-62-5
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CAS Name

1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione

Molecular Formula

C10H17NO2

Molecular Mass

183.25

Cite this Page

1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78553-62-5 (retrieved 2024-09-06) (CAS RN: 78553-62-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    131 °C @ Press: 0.975 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H17NO2/c1-9(12)8-10(13)11-6-4-2-3-5-7-11/h2-8H2,1H3

InChIKey

InChIKey=FVCYDMFGFDHYDW-UHFFFAOYSA-N

SMILES

C(CC(C)=O)(=O)N1CCCCCC1

Canonical SMILES

O=C(N1CCCCCC1)CC(=O)C

Other Names for this Substance

  • 1,3-Butanedione, 1-(hexahydro-1H-azepin-1-yl)-
  • 1H-Azepine, 1-(1,3-dioxobutyl)hexahydro-
  • 1-(Hexahydro-1H-azepin-1-yl)-1,3-butanedione
  • NSC 74486
  • 1-(Azepan-1-yl)butane-1,3-dione