(3β)-Cholest-5-En-3-Amine

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Properties Simple | Detailed

Formula C27H47N
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-amine
Molecular Mass 385.669 g·mol−1
Heat of Formation -321.0 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 549.16 Å 3
Surface Area 427.64 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-amine
  • (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-amine
  • 3beta-aminocholesterol
  • [(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]amine
  • choleslerylamine
  • cholest-5-en-3-amine, (3beta)-
  • cholesterylamine
CAS Number(s)
  • 2126-93-4
InChIKey YGPZWPHDULZYFR-DPAQBDIFSA-N
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