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1,3,5-Tricyclohexylbarbituric Acid
[CAS# 747-78-4]

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Identification
Name 1,3,5-Tricyclohexylbarbituric Acid
Synonyms 1,3,5-Tricyclohexylhexahydropyrimidine-2,4,6-Trione; 1,3,5-Tricyclohexylbarbituric Acid; 1,3,5-Tricyclohexyl-2,4,6(1H,3H,5H)-Pyrimidinetrione
Molecular Structure CAS#: 747-78-4, 1,3,5-Tricyclohexylbarbituric Acid
Molecular Formula C22H34N2O3
Molecular Weight 374.52
CAS Registry Number 747-78-4
SMILES O=C1N(C(C(C(N1C2CCCCC2)=O)C3CCCCC3)=O)C4CCCCC4
InChI 1S/C22H34N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h16-19H,1-15H2
InChIKey QTTNFALEHFHMAW-UHFFFAOYSA-N
Properties
Density 1.176g/cm3 (Cal.)
Boiling point 494.803°C at 760 mmHg (Cal.)
Flash point 197.856°C (Cal.)
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