1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

Modify Date: 2024-04-02 12:23:31

1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione Structure
1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione structure
 Common Name 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
CAS Number 66941-07-9 Molecular Weight 226.27200
Density 1.113g/cm3 Boiling Point 298.8ºC at 760 mmHg
Molecular Formula C11H18N2O3 Melting Point N/A
MSDS N/A Flash Point 114.6ºC

 Names

Name 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

 Chemical & Physical Properties

Density 1.113g/cm3
Boiling Point 298.8ºC at 760 mmHg
Molecular Formula C11H18N2O3
Molecular Weight 226.27200
Flash Point 114.6ºC
Exact Mass 226.13200
PSA 57.69000
LogP 0.96500
Index of Refraction 1.487
InChIKey XOADURCWFNUIPK-UHFFFAOYSA-N
SMILES CCCC(C)C1C(=O)N(C)C(=O)N(C)C1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4125000
CHEMICAL NAME :
Barbituric acid, 1,3-dimethyl-5-(1-methylbutyl)-
CAS REGISTRY NUMBER :
66941-07-9
BEILSTEIN REFERENCE NO. :
0209453
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H18-N2-O3
MOLECULAR WEIGHT :
226.31
WISWESSER LINE NOTATION :
T6VNVNV FHJ B1 D1 FY3&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 :
450 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

 Synthetic Route

(+/-)-(-1-methyl-butyl)-malonic acid structure

(+/-)-(-1-methy...

CAS#:118870-82-9

1,3-Dimethylurea structure

1,3-Dimethylurea

CAS#:96-31-1

~%

1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione Structure

1,3-dimethyl-5-...

CAS#:66941-07-9

Literature: Cope et al. Journal of the American Chemical Society, 1941 , vol. 63, p. 356

 Precursor & DownStream

Precursor  2

DownStream  0

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Chemsrc provides CAS#:66941-07-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione>> amp version: 1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

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