(3β)-Cholest-5-En-3-Yl [2-(Dimethylamino)Ethyl]Carbamate

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Properties Simple | Detailed

Formula C32H56N2O2
IUPAC Name [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] n-[2-(dimethylamino)ethyl]carbamate
Molecular Mass 500.799 g·mol−1
Heat of Formation -709.1 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 688.47 Å 3
Surface Area 561.53 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(n-(n',n'-dimethylaminoethane)carbamoyl)cholesterol
  • 3beta-(n-(n',n'-dimethylaminoethane)carbamoyl)cholesterol
  • [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] n-(2-dimethylaminoethyl)carbamate
  • cholest-5-en-3-ol (3beta)-, (2-(dimethylamino)ethyl)carbamate
  • n-(2-dimethylaminoethyl)carbamic acid [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] ester
CAS Number(s)
  • 137056-72-5
InChIKey HIHOWBSBBDRPDW-PTHRTHQKSA-N
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