4-Methyl-4-Azacholestane
[CAS# 1867-76-1]

Identification

• Name: 4-Methyl-4-Azacholestane
• Synonyms: (3As,3Bs,5Ar,9Ar,9Bs,11Ar)-7-[(1R)-1,5-Dimethylhexyl]-6,9A,11A-Trimethyl-1,2,3,3A,3B,4,5,5A,7,8,9,9B,10,11-Tetradecahydroindeno[5,4-F]Quinoline; 4-Methyl-4-Aza-5Alpha-Cholestane; 4-Methyl-4-Azacholestane
• Molecular Formula: C₂₇H₄₉N
• Molecular Weight: 387.69
• CAS Registry Number: 1867-76-1
• SMILES: [C@@]12(CCC(N([C@@H]1CC[C@@H]3[C@@H]2CC[C@]4(CCC[C@@H]34)C)C)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C27H49N/c1-19(2)9-7-10-20(3)24-15-18-27(5)23-14-17-26(4)16-8-11-22(26)21(23)12-13-25(27)28(24)6/h19-25H,7-18H2,1-6H3/t20-,21+,22+,23+,24?,25-,26-,27-/m1/s1
• InChIKey: ZBHJPJSJUPTGSI-DLIDQQGSSA-N

Properties

• Density: 0.923g/cm³ (Cal.)
• Boiling point: 449.391°C at 760 mmHg (Cal.)
• Flash point: 198.913°C (Cal.)