Benzpiperylon
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Benzpiperylon
structure -
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CAS No:
53-89-4
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Formula:
C22H25N3O
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Chemical Name:
Benzpiperylon
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Synonyms:
3H-Pyrazol-3-one,1,2-dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)-;3-Pyrazolin-5-one,4-benzyl-1-(1-methyl-4-piperidyl)-3-phenyl-;1,2-Dihydro-2-(1-methyl-4-piperidinyl)-5-phenyl-4-(phenylmethyl)-3H-pyrazol-3-one;1-(N-Methyl-4-piperidyl)-3-phenyl-4-benzyl-3-pyrazolin-5-one;PPBP;Benzpiperylone;Benzpiperylon;Reublonil;Telon;Benzometan;KB 95;Humedil;NSC 73254
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CAS No:
Characteristics
35.6
3.63880
0.9393 g/cm3 @ Temp: 15 °C
182 °C (decomp)
229-230 °C @ Press: 760 Torr
256.5ºC
1.618
Oral-rat LD50: 2700 mg/kg; Oral-Mouse LD50: 1880 mg/kg
Flammable; burning produces toxic nitrogen oxide fumes
Computed Properties
Molecular Weight:347.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:347.199762429
Monoisotopic Mass:347.199762429
Topological Polar Surface Area:35.6
Heavy Atom Count:26
Complexity:524
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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