6-[(4-methoxyphenyl)methyl]-9-[6-(2-oxiranyl)-6-oxohexyl]-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
[CAS# 90965-62-1]

Identification

• Name: 6-[(4-methoxyphenyl)methyl]-9-[6-(2-oxiranyl)-6-oxohexyl]-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
• Synonyms: 6-[(4-Methoxyphenyl)Methyl]-9-[6-(Oxiran-2-Yl)-6-Oxo-Hexyl]-3-Sec-Butyl-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadecane-2,5,8,11-Tetrone; 6-[(4-Methoxyphenyl)Methyl]-9-[6-(2-Oxiranyl)-6-Oxohexyl]-3-Sec-Butyl-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadecane-2,5,8,11-T
• Molecular Formula: C₃₁H₄₄N₄O₇
• Molecular Weight: 584.71
• CAS Registry Number: 90965-62-1
• SMILES: C4=C(CC1NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)C(CC)C)CCC2)CCCCCC(=O)C3OC3)C=CC(=C4)OC
• InChI: 1S/C31H44N4O7/c1-4-19(2)27-31(40)35-16-8-10-24(35)30(39)32-22(9-6-5-7-11-25(36)26-18-42-26)28(37)33-23(29(38)34-27)17-20-12-14-21(41-3)15-13-20/h12-15,19,22-24,26-27H,4-11,16-18H2,1-3H3,(H,32,39)(H,33,37)(H,34,38)
• InChIKey: HHNFORCFJOVQNF-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 893.782°C at 760 mmHg (Cal.)
• Flash point: 494.342°C (Cal.)