Product Name

  • Name

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

  • EINECS
  • CAS No. 16468-98-7
  • Density 1.138g/cm3
  • Solubility
  • Melting Point
  • Formula C10H14 N2 O3
  • Boiling Point °Cat760mmHg
  • Molecular Weight 210.233
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic 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 16468-98-7 (5-Ethyl-5-(1-methyl-1-propenyl)barbituric acid)
  • Hazard Symbols
  • Synonyms 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methyl-1-propenyl)- (9CI); NSC 125737; NSC 125738
  • PSA 75.27000
  • LogP 1.37260

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

Product Name: 5-Ethyl-5-(1-methylpropenyl)barbituric acid (CAS NO.16468-98-7)


Molecular Formula: C10H14N2O3
Molecular Weight: 210.26g/mol
Mol File: 16468-98-7.mol
Density: 1.138g/cm3
Surface Tension: 36.3 dyne/cm
XLogP3-AA: 1.3
H-Bond Donor: 2
H-Bond Acceptor: 3
IUPAC Name: 5-[(Z)-but-2-en-2-yl]-5-ethyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C(=CC)C
Isomeric SMILES: CCC1(C(=O)NC(=O)NC1=O)/C(=C\C)/C
InChI: InChI=1S/C10H14N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h4H,5H2,
1-3H3,(H2,11,12,13,14,15)/b6-4- 
InChIKey: BNEFYUSURPWDHG-XQRVVYSFSA-N

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

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 490mg/kg (490mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939.
mouse LD50 oral 550mg/kg (550mg/kg)   Journal of the American Chemical Society. Vol. 61, Pg. 353, 1939.

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

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

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

 5-Ethyl-5-(1-methylpropenyl)barbituric acid ,its CAS NO. is 16468-98-7,the synonyms is 4-24-00-01988 (Beilstein Handbook Reference) ; BRN 0199033 ; Barbituric acid, 5-ethyl-5-(1-methylpropenyl)- ; NSC 125737 ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methyl-1-propenyl)- (9CI) ; Barbituric acid, 5-ethyl-5-(1-methylpropenyl)- .

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