2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl-

Modify Date: 2024-03-26 12:28:56

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl- Structure
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl- structure
Common Name 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl-
CAS Number 2964-06-9 Molecular Weight 240.29900
Density 1.063g/cm3 Boiling Point N/A
Molecular Formula C12H20N2O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.063g/cm3
Molecular Formula C12H20N2O3
Molecular Weight 240.29900
Exact Mass 240.14700
PSA 75.27000
LogP 2.08860
Index of Refraction 1.465

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4060000
CHEMICAL NAME :
Barbituric acid, 5-(1,3-dimethylbutyl)-5-ethyl-
CAS REGISTRY NUMBER :
2964-06-9
LAST UPDATED :
199107
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C12-H20-N2-O3
MOLECULAR WEIGHT :
240.34
WISWESSER LINE NOTATION :
T6VMVMV FHJ FY1&1Y1&1 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 :
75 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 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 :
17 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 :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
10 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 :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2500 ug/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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
7 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: 58,1354,1936

 Safety Information

HS Code 2933540000

 Synthetic Route

~%

2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl- Structure

2,4,6(1H,3H,5H)...

CAS#:2964-06-9

Literature: Cain; Kleis Journal of Medicinal and Pharmaceutical Chemistry, 1959 , vol. 1, p. 31,35

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2933540000
Summary 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

 Synonyms

DMBEB
5-Aethyl-5-(1,3-dimethyl-butyl)-barbitursaeure
5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid
Diberal
5-(1,3-dimethyl-butyl)-5-ethyl-pyrimidine-2,4,6-trione
5-(1,3-Dimethylbutyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
5-ethyl-5-(1',3'-dimethylbutyl)barbituric acid
5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid