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64038-09-1

Basic Information
CAS No.: 64038-09-1
Name: 5-(4-aminophenyl)-5-ethyl-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Molecular Structure:
Molecular Structure of 64038-09-1 (5-(4-aminophenyl)-5-ethyl-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione)
Formula: C13H15 N3 O3
Molecular Weight: 261.31
Density: 1.271g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous and intramuscular routes. Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
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  • 5-(4-aminophenyl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione

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Chemistry

Product Name: 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid (CAS NO.64038-09-1)


Molecular Formula: C13H15N3O3
Molecular Weight: 261.31g/mol
Mol File: 64038-09-1.mol
Density: 1.271 g/cm3
Surface Tension: 50.9 dyne/cm
XLogP3-AA: 1.2
H-Bond Donor: 2
H-Bond Acceptor: 4
IUPAC Name: 5-(4-aminophenyl)-5-ethyl-1-methyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=C(C=C2)N
InChI: InChI=1S/C13H15N3O3/c1-3-13(8-4-6-9(14)7-5-8)10(17)15-12(19)16(2)11(13)
18/h4-7H,3,14H2,1-2H3,(H,15,17,19) 
InChIKey: HJQDNWSIHPKTLV-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 210mg/kg (210mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Toxicology and Applied Pharmacology. Vol. 47, Pg. 305, 1979.
mouse LD50 intraperitoneal 141mg/kg (141mg/kg)   Fundamental and Applied Toxicology. Vol. 3, Pg. 533, 1983.
mouse LD50 intravenous 95mg/kg (95mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Toxicology and Applied Pharmacology. Vol. 45, Pg. 305, 1979.
rat LD50 intraperitoneal 780mg/kg (780mg/kg) BEHAVIORAL: ANTICONVULSANT Pharmacologist. Vol. 5, Pg. 237, 1963.

Safety Profile

Poison by intravenous and intramuscular routes. Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.

Specification

 5-(p-Aminophenyl)-5-ethyl-1-methylbarbituric acid ,its CAS NO. is 64038-09-1,the synonyms is 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(4-aminophenyl)-5-ethyl-1-methyl- ; Barbituric acid, 5-(p-aminophenyl)-5-ethyl-1-methyl- .