2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(1-methylbutyl)- (9CI)

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Names

[ CAS No. ]:
52944-65-7

[ Name ]:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(1-methylbutyl)- (9CI)

[Synonym ]:
5-methyl-5-(1-methyl-butyl)-barbituric acid
5-methyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione
5-Methyl-5-(1-methyl-butyl)-barbitursaeure
Pentobarbital
5-Methyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Chemical & Physical Properties

[ Density]:
1.108g/cm3

[ Molecular Formula ]:
C10H16N2O3

[ Molecular Weight ]:
212.24600

[ Exact Mass ]:
212.11600

[ PSA ]:
75.27000

[ LogP ]:
1.45250

[ Index of Refraction ]:
1.468

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ7200000
CHEMICAL NAME :
Barbituric acid, 5-methyl-5-(1-methylbutyl)-, sodium salt
CAS REGISTRY NUMBER :
52944-65-7
LAST UPDATED :
199107
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H16-N2-O3.Na
MOLECULAR WEIGHT :
235.27
WISWESSER LINE NOTATION :
T6VMVMV FHJ FY3&1 F1 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
170 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: 56,1139,1934

Safety Information

[ HS Code ]:
2933540000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 5-Methyl-5-(1-methyl-1-butenyl)barbituric acid

DownStream

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%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • N-[(6-cyclopropylpyridin-3-yl)methyl]-2-(4-fluorophenyl)acetamide
  • 4-isopropoxy-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)benzamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine