(3α,5α,20S)-N~3~,N~20~,N~20~-Trimethylpregnane-3,20-Diamine

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Formula C24H44N2
IUPAC Name (3r,5s,8r,9s,10s,13s,14s,17s)-17-[(1s)-1-(dimethylamino)ethyl]-n,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-amine
Molecular Mass 360.620 g·mol−1
Heat of Formation -256.8 ± 16.7 kJ·mol−1
Dipole Moment 1.31 ± 1.08 D
Volume 501.97 Å 3
Surface Area 387.63 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,8r,9s,10s,13s,14s,17s)-17-[(1s)-1-dimethylaminoethyl]-n,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-amine
  • 5-alpha-pregnane-3-alpha,20-alpha-diamine, n(sup 3),n(sup 20),n(sup 20)-trimethyl-
  • [(1s)-1-[(3r,5s,8r,9s,10s,13s,14s,17s)-10,13-dimethyl-3-methylamino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]-dimethyl-amine
CAS Number(s)
  • 6801-29-2
InChIKey NLOJUKSOUNWUSW-HLSPMNIASA-N
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