(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Aminoethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Amine
[CAS# 3614-57-1]

Identification

• Name: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Aminoethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Amine
• Synonyms: [(1S)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-Amino-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethyl]Amine; Irehdiamine; Irehdiamine A
• Molecular Formula: C₂₁H₃₆N₂
• Molecular Weight: 316.53
• CAS Registry Number: 3614-57-1
• SMILES: [C@]24([C@H]([C@@H]1CC=C3[C@@]([C@H]1CC2)(CC[C@H](N)C3)C)CC[C@@H]4[C@@H](N)C)C
• InChI: 1S/C21H36N2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19H,5-12,22-23H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: XDELLWIDOQOKHV-YZXCLFAISA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 427.844°C at 760 mmHg (Cal.)
• Flash point: 254.634°C (Cal.)