Thalsimine
[CAS# 5525-36-0]

Identification

• Name: Thalsimine
• Synonyms: Thalsimine; Thalcimine
• Molecular Formula: C₃₈H₄₀N₂O₇
• Molecular Weight: 636.74
• CAS Registry Number: 5525-36-0
• SMILES: [C@H]26C1=C(C(=C(C(=C1CCN2C)OC)OC)OC)OC3=C(C=C4C(=C3)C(=NCC4)CC7=CC=C(OC5=C(C=CC(=C5)C6)OC)C=C7)OC
• InChI: 1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1
• InChIKey: YWNUNVSMOKMJMG-LJAQVGFWSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 750.921°C at 760 mmHg (Cal.)
• Flash point: 407.942°C (Cal.)