(±)-Secobarbital

CAS Registry Number®

76-73-3
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CAS Name

(±)-Secobarbital

Molecular Formula

C12H18N2O3

Molecular Mass

238.28

Cite this Page

(±)-Secobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29071-21-4 (retrieved 2024-03-04) (CAS RN: 76-73-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

InChIKey

InChIKey=KQPKPCNLIDLUMF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-
  • Barbituric acid, 5-allyl-5-(1-methylbutyl)-
  • 5-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-5-(1-methylbutyl)barbituric acid

Deleted or Replaced CAS Registry Numbers

29071-21-4

CAS INSIGHTSTM
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