Barbital

CAS Registry Number®

57-44-3

CAS Name

Barbital

Molecular Formula

C8H12N2O3

Molecular Mass

184.19

Cite this Page

Barbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57-44-3 (retrieved 2024-11-24) (CAS RN: 57-44-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    250 °C

  • Melting Point (1)

    190 °C

  • Density (2)

    1.220 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)

InChIKey

InChIKey=FTOAOBMCPZCFFF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-
  • Barbituric acid, 5,5-diethyl-
  • 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Barbital
  • Barbitone

View All

Deleted or Replaced CAS Registry Numbers

6599-82-2, 53527-29-0, 145630-92-8

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