beta-Isocupreidine
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beta-Isocupreidine
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CAS No:
253430-48-7
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Formula:
C19H22N2O2
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Chemical Name:
beta-Isocupreidine
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Synonyms:
beta-Isocupreidine;(9S)-3alpha,9-Epoxy-10,11-dihydrocinchonan-6'-ol;Cinchonan-6'-ol, 3,9-epoxy-10,11-dihydro-, (3α,9S)-TQO;β-Isocupreidine;(3alpha,9S)-3,9-Epoxy-10,11-dihydrocinchonan-6'-ol;TQO;Cinchonan-6'-ol, 3,9-epoxy-10,11-dihydro-, (3a,9S)-;(3a,9S)- 3,9-epoxy-10,11-dihydro-Cinchonan-6'-ol
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CAS No:
Characteristics
45.59000
2.71
1.3±0.1 g/cm3
258-259℃ (methanolwater )
496.5±40.0 °C at 760 mmHg
254.1±27.3 °C
1.682
Computed Properties
Molecular Weight:310.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:310.168127949
Monoisotopic Mass:310.168127949
Topological Polar Surface Area:45.6
Heavy Atom Count:23
Complexity:472
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes