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Cyclobarbital [52-31-3]

 


Identification
Copyright
CAS # 52-31-3, Cyclobarbital
Name
Cyclobarbital
Synonyms
5-(1-Cyclohexenyl)-5-Ethyl-Hexahydropyrimidine-2,4,6-Trione; 5-(1-Cyclohexenyl)-5-Ethylhexahydropyrimidine-2,4,6-Trione; 5-(1-Cyclohexenyl)-5-Ethyl-Barbituric Acid
Molecular Formula
C12H16N2O3
Molecular Weight 236.27
CAS Registry Number
52-31-3
EINECS 200-138-3
SMILES
C(C2(C1=CCCCC1)C(NC(=O)NC2=O)=O)C
InChI
1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
InChIKey WTYGAUXICFETTC-UHFFFAOYSA-N
down Properties
Desity 1.2±0.1g/cm3 (Cal.)  ref.
down References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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