Calpurnine
[CAS# 6874-80-2]

Identification

• Name: Calpurnine
• Synonyms: C10757; Calpurnine
• Molecular Formula: C₂₀H₂₇N₃O₃
• Molecular Weight: 357.45
• CAS Registry Number: 6874-80-2
• SMILES: [C@H]12[C@H]5N(C[C@@H](C1)[C@@H]3N(C2)C(=O)CCC3)CC[C@H](OC(=O)C4=CC=C[NH]4)C5
• InChI: 1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13-,14+,15+,17-,18+/m1/s1
• InChIKey: YFRYJFMFQOBOSY-WBOSRHFRSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 560.879°C at 760 mmHg (Cal.)
• Flash point: 293.009°C (Cal.)