Product Name

  • Name

    5-Ethyl-1-methyl-5-(1-methyl-1-propenyl)barbituric acid

  • EINECS
  • CAS No. 66968-89-6
  • Density 1.123g/cm3
  • Solubility
  • Melting Point
  • Formula C11H16N2O3
  • Boiling Point °Cat760mmHg
  • Molecular Weight 224.29
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 66968-89-6 (5-Ethyl-1-methyl-5-(1-methyl-1-propenyl)barbituric acid)
  • Hazard Symbols
  • Synonyms 2,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-(1-methyl-1-propenyl);5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid;BARBITURIC ACID,5-ETHYL-1-METHYL-5-(1-METHYLPROPENYL);5-Aethyl-1-methyl-5-(1-methyl-propenyl)-barbitursaeure;
  • PSA 66.48000
  • LogP 1.32390

5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Chemical Properties

Product Name: 5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid (CAS NO.66968-89-6)


Molecular Formula: C11H16N2O3
Molecular Weight: 224.29g/mol
Mol File: 66968-89-6.mol
Density: 1.123g/cm3
Surface Tension: 36.7 dyne/cm
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: 5-[(E)-but-2-en-2-yl]-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)C)C(=CC)C
Isomeric SMILES: CCC1(C(=O)NC(=O)N(C1=O)C)/C(=C/C)/C
InChI: InChI=1S/C11H16N2O3/c1-5-7(3)11(6-2)8(14)12-10(16)13(4)9(11)15/h5H,6H2,
1-4H3,(H,12,14,16)/b7-5+ 
InChIKey: NCVHDTCOFYKMMM-FNORWQNLSA-N

5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 210mg/kg (210mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939.
mouse LD50 oral 285mg/kg (285mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939.

5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.

5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid Specification

 5-Ethyl-1-methyl-5-(1-methylpropenyl)barbituric acid ,its CAS NO. is 66968-89-6,the synonyms is 5-Ethyl-1-methyl-5-(1-methyl-1-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione ; Barbituric acid, 5-ethyl-1-methyl-5-(1-methylpropenyl)- ; 4-24-00-01988 (Beilstein Handbook Reference) .

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