(±)-Hexobarbital

CAS Registry Number®

56-29-1
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CAS Name

(±)-Hexobarbital

Molecular Formula

C12H16N2O3

Molecular Mass

236.27

Cite this Page

(±)-Hexobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56-29-1 (retrieved 2024-04-18) (CAS RN: 56-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)

InChIKey

InChIKey=UYXAWHWODHRRMR-UHFFFAOYSA-N

SMILES

CC1(C(=O)N(C)C(=O)NC1=O)C=2CCCCC2

Canonical SMILES

O=C1NC(=O)C(C(=O)N1C)(C2=CCCCC2)C

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
  • Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
  • 5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Citopan
  • 5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid

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Deleted or Replaced CAS Registry Numbers

630-97-7, 7200-11-5

CAS INSIGHTSTM
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