Sempervirine Nitrate
[CAS# 5436-46-4]

Identification

• Name: Sempervirine Nitrate
• Synonyms: Sempervirine, Nitrate, Dihydrate; Sempervirine, Nitrate; Sempervirine Nitrate
• Molecular Formula: C₁₉H₁₇N₃O₃
• Molecular Weight: 335.36
• CAS Registry Number: 5436-46-4
• SMILES: C5=CC4=NC3=C1[N](C=C2C(=C1)CCCC2)C=CC3=C4C=C5.O=[N+](O)[O-]
• InChI: 1S/C19H16N2.HNO3/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1;2-1(3)4/h3-4,7-12H,1-2,5-6H2;(H,2,3,4)
• InChIKey: IECUCQNAZVURGY-UHFFFAOYSA-N

Properties

• Boiling point: 591.6°C at 760 mmHg (Cal.)
• Flash point: 311.6°C (Cal.)