Novocebrin

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Properties Simple | Detailed

Formula C20H21NOS2
IUPAC Name (1r,2s)-2-[3,3-bis(3-thienyl)allylamino]-1-phenyl-propan-1-ol
Molecular Mass 355.517 g·mol−1
Heat of Formation 207.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 445.35 Å 3
Surface Area 367.95 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(r)-alpha-((s)-1-((3,3-di-3-thienylallyl)amino)ethyl)benzyl alcohol
  • (1r,2s)-2-[3,3-bis(3-thienyl)prop-2-enylamino]-1-phenyl-propan-1-ol
  • (1r,2s)-2-[3,3-bis(3-thienyl)prop-2-enylamino]-1-phenylpropan-1-ol
  • (1r,2s)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenyl-propan-1-ol
  • (1r,2s)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
  • benzyl alcohol, alpha-(1-((3,3-di-3-thienylallyl)amino)ethyl)-, hydrochloride, (
  • d-8955
  • tinofedrine
CAS Number(s)
  • 66788-41-8
InChIKey JQSHEDRVRBSFCZ-YWZLYKJASA-N
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