5-METHYL-5-(1-METHYL-1-PENTENYL)-BARBITURIC ACID

Modify Date: 2025-09-13 17:40:46

5-METHYL-5-(1-METHYL-1-PENTENYL)-BARBITURIC ACID Structure
5-METHYL-5-(1-METHYL-1-PENTENYL)-BARBITURIC ACID structure
Common Name 5-METHYL-5-(1-METHYL-1-PENTENYL)-BARBITURIC ACID
CAS Number 66843-04-7 Molecular Weight 224.25600
Density 1.121g/cm3 Boiling Point N/A
Molecular Formula C11H16N2O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-[(E)-hex-2-en-2-yl]-5-methyl-1,3-diazinane-2,4,6-trione

 Chemical & Physical Properties

Density 1.121g/cm3
Molecular Formula C11H16N2O3
Molecular Weight 224.25600
Exact Mass 224.11600
PSA 75.27000
LogP 1.76270
Index of Refraction 1.489
InChIKey HSRAZMPLBVHJNH-VOTSOKGWSA-N
SMILES CCCC=C(C)C1(C)C(=O)NC(=O)NC1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ7215000
CHEMICAL NAME :
Barbituric acid, 5-methyl-5-(1-methyl-1-pentenyl)-
CAS REGISTRY NUMBER :
66843-04-7
BEILSTEIN REFERENCE NO. :
0210128
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H16-N2-O3
MOLECULAR WEIGHT :
224.29
WISWESSER LINE NOTATION :
T6VMVMV FHJ FY1&U4 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
620 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 61,776,1939
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
375 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 61,776,1939
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