Isoline
[CAS# 30000-36-3]

Identification

• Name: Isoline
• Molecular Formula: C₂₀H₂₉NO₇
• Molecular Weight: 395.45
• CAS Registry Number: 30000-36-3
• SMILES: [C@@]3(C(OCC1=CCN2[C@H]1[C@@H](CC2)OC([C@@](C[C@H]3C)(O)CC)=O)=O)(OC(=O)C)C
• InChI: 1S/C20H29NO7/c1-5-20(25)10-12(2)19(4,28-13(3)22)17(23)26-11-14-6-8-21-9-7-15(16(14)21)27-18(20)24/h6,12,15-16,25H,5,7-11H2,1-4H3/t12-,15-,16-,19+,20-/m1/s1
• InChIKey: IYLGZMTXKJYONK-ACLXAEORSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 584.137°C at 760 mmHg (Cal.)
• Flash point: 307.075°C (Cal.)