Propallylonal
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Propallylonal
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CAS No:
545-93-7
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Formula:
C10H13BrN2O3
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Chemical Name:
Propallylonal
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Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-bromo-2-propen-1-yl)-5-(1-methylethyl)-;Barbituric acid,5-(2-bromoallyl)-5-isopropyl-;2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-bromo-2-propenyl)-5-(1-methylethyl)-;5-(2-Bromo-2-propen-1-yl)-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(2-Bromoallyl)-5-isopropylbarbituric acid;5-Isopropyl-5-bromoallylbarbituric acid;5-Isopropyl-5-(2-bromoallyl)barbiturate;Noctal;Nostal;Nostral;Propallylonal;Quietal;Ibomal;Noctenal;5-(β-Bromoallyl)-5-isopropylbarbituric acid;Kwietal;Propaldon;Quietalum;Bromoaprobarbital
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CAS No:
Characteristics
82.25000
1.84530
1.44g/cm3
181 °C
1.515
MLD orally in rabbits: 300-350 mg/kg (Maloney)
Computed Properties
Molecular Weight:289.13
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:288.01095
Monoisotopic Mass:288.01095
Topological Polar Surface Area:75.3
Heavy Atom Count:16
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes