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66941-04-6

66941-04-6 structure
66941-04-6 structure
  • Name: BARBITURIC ACID, 1,3-DIMETHYL-5-ISOPENTYL-
  • Chemical Name: 1,3-dimethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
  • CAS Number: 66941-04-6
  • Molecular Formula: C11H18N2O3
  • Molecular Weight: 226.27200
  • Create Date: 2016-08-25 07:47:57
  • Modify Date: 2024-02-06 01:56:02
Name 1,3-dimethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Synonyms 1,3-Dimethyl-5-isopentylbarbituric acid
5-Isopentyl-1,3-dimethyl-barbitursaeure
BARBITURIC ACID,1,3-DIMETHYL-5-ISOPENTYL
5-isopentyl-1,3-dimethyl-barbituric acid
Barbituric acid,3-dimethyl-5-isopentyl
Density 1.1g/cm3
Boiling Point 299.1ºC at 760 mmHg
Molecular Formula C11H18N2O3
Molecular Weight 226.27200
Flash Point 114.8ºC
Exact Mass 226.13200
PSA 57.69000
LogP 0.96500
Index of Refraction 1.481

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4097500
CHEMICAL NAME :
Barbituric acid, 1,3-dimethyl-5-isopentyl-
CAS REGISTRY NUMBER :
66941-04-6
BEILSTEIN REFERENCE NO. :
0212017
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H18-N2-O3
MOLECULAR WEIGHT :
226.31
WISWESSER LINE NOTATION :
T6VNVNV FHJ B1 D1 F2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
525 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: 63,356,1941
5398-08-3 structure

5398-08-3
96-31-1 structure

96-31-1

~%

66941-04-6 structure

66941-04-6
Literature: Cope et al. Journal of the American Chemical Society, 1941 , vol. 63, p. 356
769-42-6 structure

769-42-6

~%

66941-04-6 structure

66941-04-6
Literature: Szostak, Michal; Sautier, Brice; Spain, Malcolm; Behlendorf, Maike; Procter, David J. Angewandte Chemie - International Edition, 2013 , vol. 52, # 48 p. 12559 - 12563 Angew. Chem., 2013 , vol. 125, # 48 p. 12791 - 12795,5
503-74-2 structure

503-74-2

~%

66941-04-6 structure

66941-04-6
Literature: Szostak, Michal; Sautier, Brice; Spain, Malcolm; Behlendorf, Maike; Procter, David J. Angewandte Chemie - International Edition, 2013 , vol. 52, # 48 p. 12559 - 12563 Angew. Chem., 2013 , vol. 125, # 48 p. 12791 - 12795,5
Precursor  4

DownStream  0


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