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5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid

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Name

5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid

EINECS N/A
CAS No. 66843-04-7 Density 1.121g/cm3
PSA 75.27000 LogP 1.76270
Solubility N/A Melting Point N/A
Formula C11H16N2O3 Boiling Point °Cat760mmHg
Molecular Weight 224.29 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES. Risk Codes N/A
Molecular Structure Molecular Structure of 66843-04-7 (5-Methyl-5-(1-methyl-1-pentenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione) Hazard Symbols N/A
Synonyms

N/A

 

5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid Chemical Properties

IUPAC Name: 5-[(E)-Hex-2-en-2-yl]-5-Hethyl-1,3-diazinane-2,4,6-trione 
Following is the structure of 5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid (CAS NO.66843-04-7):
                       
Empirical Formula: C11H16N2O3
Molecular Weight: 224.2563 g/mol
Surface Tension: 36.9 dyne/cm
Density: 1.121 g/cm3
Index of Refraction of 5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid (CAS NO.66843-04-7): 1.489
Canonical SMILES: CCCC=C(C)C1(C(=O)NC(=O)NC1=O)C
Isomeric SMILES: CCC/C=C(\C)/C1(C(=O)NC(=O)NC1=O)C
InChI: InChI=1S/C11H16N2O3/c1-4-5-6-7(2)11(3)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+
InChIKey: HSRAZMPLBVHJNH-VOTSOKGWSA-N

5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid Toxicity Data With Reference

1.    

orl-mus LD50:620 mg/kg

    JACSAT    Journal of the American Chemical Society. 61 (1939),776.
2.    

ipr-mus LD50:375 mg/kg

    JACSAT    Journal of the American Chemical Society. 61 (1939),776.

5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid Safety Profile

Poison by intraperitoneal route. Moderately is toxic by ingestion. When heated to decomposition, 5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid (CAS NO.66843-04-7) emits toxic fumes of NOx. See also BARBITURATES.

5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid Specification

 5-Methyl-5-(1-methyl-1-pentenyl)barbituric acid , its cas register number is 66843-04-7. It also can be called Barbituric acid, 5-methyl-5-(1-methyl-1-pentenyl)- . Its classification code is Drug / Therapeutic Agent.

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