Aprobarbital

CAS Registry Number®

77-02-1

CAS Name

Aprobarbital

Molecular Formula

C10H14N2O3

Molecular Mass

210.23

Cite this Page

Aprobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-02-1 (retrieved 2024-11-25) (CAS RN: 77-02-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-141.5 °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/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)

InChIKey

InChIKey=UORJNBVJVRLXMQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propen-1-yl)-
  • Barbituric acid, 5-allyl-5-isopropyl-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
  • 5-(1-Methylethyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Allional

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