Butalbital

CAS Registry Number®

77-26-9
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CAS Name

Butalbital

Molecular Formula

C11H16N2O3

Molecular Mass

224.26

Cite this Page

Butalbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77-26-9 (retrieved 2024-02-20) (CAS RN: 77-26-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

InChIKey

InChIKey=UZVHFVZFNXBMQJ-UHFFFAOYSA-N

SMILES

C(C(C)C)C1(CC=C)C(=O)NC(=O)NC1=O

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(CC=C)CC(C)C

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propen-1-yl)-
  • Barbituric acid, 5-allyl-5-isobutyl-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-
  • 5-(2-Methylpropyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Allylbarbital

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