4,4'-[Propane-1,3-Diyldi(Piperidine-1,4-Diyl)]Bis[7-Nitroquinazoline]
[CAS# 52791-15-8]

Identification

• Name: 4,4'-[Propane-1,3-Diyldi(Piperidine-1,4-Diyl)]Bis[7-Nitroquinazoline]
• Synonyms: 7-Nitro-4-[4-[3-[1-(7-Nitroquinazolin-4-Yl)-4-Piperidyl]Propyl]-1-Piperidyl]Quinazoline; 7-Nitro-4-[4-[3-[1-(7-Nitro-4-Quinazolinyl)-4-Piperidinyl]Propyl]-1-Piperidinyl]Quinazoline; 4,4'-(Propane-1,3-Diyldi(Piperidine-1,4-Diyl))Bis(7-Nitroquinazoline)
• Molecular Formula: C₂₉H₃₂N₈O₄
• Molecular Weight: 556.62
• CAS Registry Number: 52791-15-8
• EINECS: 258-187-1
• SMILES: C1=CC(=CC2=NC=NC(=C12)N6CCC(CCCC5CCN(C3=C4C(=NC=N3)C=C([N+](=O)[O-])C=C4)CC5)CC6)[N+](=O)[O-]
• InChI: 1S/C29H32N8O4/c38-36(39)22-4-6-24-26(16-22)30-18-32-28(24)34-12-8-20(9-13-34)2-1-3-21-10-14-35(15-11-21)29-25-7-5-23(37(40)41)17-27(25)31-19-33-29/h4-7,16-21H,1-3,8-15H2
• InChIKey: OAODAWHNOUZRPI-UHFFFAOYSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 774.865°C at 760 mmHg (Cal.)
• Flash point: 422.423°C (Cal.)