2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methyl-2-buten-1-yl)-

Modify Date: 2025-09-17 20:30:45

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methyl-2-buten-1-yl)- structure	Common Name	2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methyl-2-buten-1-yl)-
	CAS Number	17013-35-3	Molecular Weight	224.25600
	Density	1.106g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₁H₁₆N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	5-Ethyl-5-(1-methyl-2-butenyl)barbituric acid

Density	1.106g/cm3
Molecular Formula	C₁₁H₁₆N₂O₃
Molecular Weight	224.25600
Exact Mass	224.11600
PSA	75.27000
LogP	1.61860
Index of Refraction	1.483
InChIKey	PUAFBJFWUGOCOU-GQCTYLIASA-N
SMILES	CC=CC(C)C1(CC)C(=O)NC(=O)NC1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ5597500

CHEMICAL NAME :: Barbituric acid, 5-ethyl-5-(1-methyl-2-butenyl)-

CAS REGISTRY NUMBER :: 17013-35-3

LAST UPDATED :: 198910

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H16-N2-O3

MOLECULAR WEIGHT :: 224.29

WISWESSER LINE NOTATION :: T6VMVMV FHJ FY1&1U2 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 21 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

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Product Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-(1-methyl-2-buten-1-yl)-
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