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-butanedioneMolecular Formula
C10H17NO2Molecular Mass
183.25Cite 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 ) (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