3-(3-Hydroxy-2-Methylpropyl)-10,11,14-Trimethyl-13,16-Di(Propan-2-Yl)-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone
[CAS# 79385-99-2]

Identification

• Name: 3-(3-Hydroxy-2-Methylpropyl)-10,11,14-Trimethyl-13,16-Di(Propan-2-Yl)-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone
• Synonyms: 3-(3-Hydroxy-2-Methyl-Propyl)-13,16-Diisopropyl-10,11,14-Trimethyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; 3-(3-Hydroxy-2-Methylpropyl)-13,16-Diisopropyl-10,11,14-Trimethyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; 3-(3-Hydroxy-2-Methyl-Propyl)-13,16-Diisopropyl-10,11,14-Trimethyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Triquinone
• Molecular Formula: C₂₉H₄₉N₅O₈
• Molecular Weight: 595.73
• CAS Registry Number: 79385-99-2
• 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(C)C)=O)CCC2)=O)C(CO)C
• InChI: 1S/C29H49N5O8/c1-16(2)23-28(40)33(8)24(17(3)4)29(41)32(7)19(6)25(37)30-12-11-22(36)42-21(14-18(5)15-35)27(39)34-13-9-10-20(34)26(38)31-23/h16-21,23-24,35H,9-15H2,1-8H3,(H,30,37)(H,31,38)
• InChIKey: BMFFTIQOTAYCMR-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 910.488°C at 760 mmHg (Cal.)
• Flash point: 504.445°C (Cal.)