(20S)-20-Aminopregna-1,4-dien-3-one
[CAS# 77546-81-7]

Identification

• Name: (20S)-20-Aminopregna-1,4-dien-3-one
• Molecular Formula: C₂₁H₃₁NO
• Molecular Weight: 313.48
• CAS Registry Number: 77546-81-7
• EINECS: 278-720-1
• SMILES: CC(N)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
• InChI: 1S/C21H31NO/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/h8,10,12-13,16-19H,4-7,9,11,22H2,1-3H3/t13?,16-,17+,18-,19-,20-,21+/m0/s1
• InChIKey: BQUZWOTWZGCUID-HWSYHKBZSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 445.797°C at 760 mmHg (Cal.)
• Flash point: 223.41°C (Cal.)