Isoptilocauline
[CAS# 78777-02-3]

Identification

• Name: Isoptilocauline
• Synonyms: Isoptilocauline; Ptilocaulin
• Molecular Formula: C₁₅H₂₅N₃
• Molecular Weight: 247.38
• CAS Registry Number: 78777-02-3
• SMILES: [C@@H]23[C@@H]1[C@@H](N=C(NC1=C([C@H](C2)C)CCCC)N)CC3
• InChI: 1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-10,12-13H,3-8H2,1-2H3,(H3,16,17,18)/t9-,10-,12-,13+/m0/s1
• InChIKey: MGZKFJKGMKJURC-XRRVDJEJSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 380.585°C at 760 mmHg (Cal.)
• Flash point: 183.972°C (Cal.)