Butabarbital

CAS Registry Number®

125-40-6
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CAS Name

Butabarbital

Molecular Formula

C10H16N2O3

Molecular Mass

212.25

Cite this Page

Butabarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97164-73-3 (retrieved 2024-06-25) (CAS RN: 125-40-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-168 °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/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)

InChIKey

InChIKey=ZRIHAIZYIMGOAB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-
  • Barbituric acid, 5-sec-butyl-5-ethyl-
  • 5-Ethyl-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Butabarb
  • Butabarbital

Deleted or Replaced CAS Registry Numbers

97164-73-3

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