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743-45-3

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Basic Information
CAS No.: 743-45-3
Name: 5-Allyl-1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Molecular Structure:
Molecular Structure of 743-45-3 (5-Allyl-1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione)
Formula: C19H16N2O3
Molecular Weight: 320.348
Synonyms: BARBITURIC ACID,5-ALLYL-1,3-DIPHENYL;1,3-Diphenyl-5-allyl-barbitursaeure;5-allyl-1,3-diphenyl-pyrimidine-2,4,6-trione;5-Allyl-1,3-diphenyl-barbitursaeure;5-Allyl-1,3-diphenylbarbituric acid;
Density: 1.253g/cm3
Boiling Point: 447.9°C at 760 mmHg
Flash Point: 191.1°C
Safety: Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES and ALLYL COMPOUNDS.
PSA: 57.69000
LogP: 3.50870
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Chemistry

Product Name: 5-Allyl-1,3-diphenylbarbituric acid (CAS NO.743-45-3)


Molecular Formula: C19H16N2O3
Molecular Weight: 320.37g/mol
Mol File: 743-45-3.mol
Boiling point: 447.9 °C at 760 mmHg
Flash Point: 191.1 °C
Density: 1.253 g/cm3
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 70.63 kJ/mol
Vapour Pressure: 3.24E-08 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: 1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: C=CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H16N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)
23)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2 
InChIKey: CSCJXJYSSKSVQF-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 533mg/kg (533mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1519, 1967.
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 342, 1964.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES and ALLYL COMPOUNDS.

Specification

 5-Allyl-1,3-diphenylbarbituric acid ,its CAS NO. is 743-45-3,the synonyms is 5-24-09-00215 (Beilstein Handbook Reference) ; 5-Allyl-1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione ; BRN 0558728 ; Barbituric acid, 5-allyl-1,3-diphenyl- .