Propallylonal

CAS Registry Number®

545-93-7
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CAS Name

Propallylonal

Molecular Formula

C10H13BrN2O3

Molecular Mass

289.13

Cite this Page

Propallylonal.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=545-93-7 (retrieved 2024-04-23) (CAS RN: 545-93-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H13BrN2O3/c1-5(2)10(4-6(3)11)7(14)12-9(16)13-8(10)15/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)

InChIKey

InChIKey=KTGWBBOJAGDSHN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(1-methylethyl)-
  • Barbituric acid, 5-(2-bromoallyl)-5-isopropyl-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylethyl)-
  • 5-(2-Bromo-2-propen-1-yl)-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(2-Bromoallyl)-5-isopropylbarbituric acid

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