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Hexobarbital [56-29-1]

 



Identification
Copyright
CAS # 56-29-1, Hexobarbital
Name
Hexobarbital
Synonyms
5-(1-Cyclohexenyl)-1,5-Dimethyl-Hexahydropyrimidine-2,4,6-Trione; 5-(1-Cyclohexenyl)-1,5-Dimethylhexahydropyrimidine-2,4,6-Trione; 5-(1-Cyclohexenyl)-1,5-Dimethyl-Barbituric Acid
Molecular Formula
C12H16N2O3
Molecular Weight 236.27
CAS Registry Number
56-29-1
EINECS 200-264-9
SMILES
CC2(C1=CCCCC1)C(N(C(=O)NC2=O)C)=O
InChI
1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
InChIKey UYXAWHWODHRRMR-UHFFFAOYSA-N
down Properties
Desity 1.3±0.1g/cm3 (Cal.)  ref.
Boiling point 368.8±45.0°C at 760 mmHg (Cal.)  ref.
Flash point 176.8±28.7°C (Cal.)  ref.
down References
(1) Daniel F. Veber, Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. Molecular Properties That Influence the Oral Bioavailability of Drug Candidates, J. Med. Chem. 2002, 45(12), 2615-2623
Market Analysis Reports
 
List of Reports Available for Hexobarbital
 

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