Securinine
[CAS# 7104-26-9]

Identification

• Name: Securinine
• Synonyms: Securinine Mononitrate; Securinine, Nitrate
• Molecular Formula: C₁₃H₁₆N₂O₅
• Molecular Weight: 280.28
• CAS Registry Number: 7104-26-9
• SMILES: [C@H]14N([C@@H]3CC12OC(=O)C=C2C=C3)CCCC4.O=[N+]([O-])O
• InChI: 1S/C13H15NO2.HNO3/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11;2-1(3)4/h4-5,7,10-11H,1-3,6,8H2;(H,2,3,4)/t10-,11+,13?;/m0./s1
• InChIKey: GTMBYDCKQUSFCT-DGKOSOBHSA-N

Properties

• Boiling point: 459°C at 760 mmHg (Cal.)
• Flash point: 197°C (Cal.)