16-Butan-2-Yl-10,11,14-Trimethyl-3-(Oxiran-2-Ylmethyl)-13-Propan-2-Yl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone
[CAS# 76689-14-0]

Identification

• Name: 16-Butan-2-Yl-10,11,14-Trimethyl-3-(Oxiran-2-Ylmethyl)-13-Propan-2-Yl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone
• Synonyms: 13-Isopropyl-10,11,14-Trimethyl-3-(Oxiran-2-Ylmethyl)-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; 13-Isopropyl-10,11,14-Trimethyl-3-(2-Oxiranylmethyl)-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; 3-Glycidyl-13-Isopropyl-10,11,14-Trimethyl-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Triquinone
• Molecular Formula: C₂₉H₄₇N₅O₈
• Molecular Weight: 593.72
• CAS Registry Number: 76689-14-0
• SMILES: C(C1C(N2C(C(NC(C(N(C(C(N(C(C(NCCC(=O)O1)=O)C)C)=O)C(C)C)C)=O)C(CC)C)=O)CCC2)=O)C3OC3
• InChI: 1S/C29H47N5O8/c1-8-17(4)23-28(39)33(7)24(16(2)3)29(40)32(6)18(5)25(36)30-12-11-22(35)42-21(14-19-15-41-19)27(38)34-13-9-10-20(34)26(37)31-23/h16-21,23-24H,8-15H2,1-7H3,(H,30,36)(H,31,37)
• InChIKey: NIAYGGCQOYIHAF-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 909.588°C at 760 mmHg (Cal.)
• Flash point: 503.901°C (Cal.)