Alphenal
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Alphenal
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CAS No:
115-43-5
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Formula:
C13H12N2O3
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Chemical Name:
Alphenal
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Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-phenyl-5-(2-propen-1-yl)-;Barbituric acid,5-allyl-5-phenyl-;2,4,6(1H,3H,5H)-Pyrimidinetrione,5-phenyl-5-(2-propenyl)-;5-Phenyl-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Allyl-5-phenylbarbituric acid;Alphenal;Alphenate;Phenallymal;5-Phenyl-5-allylbarbituric acid;Prophenal;Allofenyl;Phenallymalum;Fenallymal;Allophenylum;Alphasem;Alpheba;Dorlotin;Luxomnin
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CAS No:
Characteristics
75.27000
1.52410
1.222g/cm3
156.5 °C
11 °C
1.549
0.01 M
2-8°C
Peritoneal-rat LD50: 233mg/kg; oral-mouse LD50: 280 mg/kg
Flammable; burning produces toxic nitrogen oxide fumes
Safety Information
23/25-36/38-39/23/24/25-23/24/25-11
7-24-45-36/37-16
T,F
Treasury is ventilated, low temperature and dry; stored separately from food materials
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:244.25
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:244.08479225
Monoisotopic Mass:244.08479225
Topological Polar Surface Area:75.3
Heavy Atom Count:18
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes