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5,5-Diethyl-1-methylbarbituric acid [50-11-3]

 



Identification
Copyright
CAS # 50-11-3, 5,5-Diethyl-1-methylbarbituric acid
Name
5,5-Diethyl-1-methylbarbituric acid
Synonyms
5,5-Diethyl-1-Methyl-Hexahydropyrimidine-2,4,6-Trione; 5,5-Diethyl-1-Methylhexahydropyrimidine-2,4,6-Trione; 5,5-Diethyl-1-Methyl-Barbituric Acid
Molecular Formula
C9H14N2O3
Molecular Weight 198.22
CAS Registry Number
50-11-3
EINECS 200-011-2
SMILES
C(C1(C(NC(N(C1=O)C)=O)=O)CC)C
InChI
1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
InChIKey FWJKNZONDWOGMI-UHFFFAOYSA-N
down Properties
Desity 1.1±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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