4-Nitro-N-[3-({4-[(4-nitrobenzoyl)amino]butyl}amino)propyl]benzamide
[CAS# 87581-14-4]

Identification

• Name: 4-Nitro-N-[3-({4-[(4-nitrobenzoyl)amino]butyl}amino)propyl]benzamide
• Synonyms: 4-nitro-n-[3-({4-[(4-nitrobenzoyl)amino]butyl}amino)propyl]benzamide; B-4-Nbsd
• Molecular Formula: C₂₁H₂₅N₅O₆
• Molecular Weight: 443.45
• CAS Registry Number: 87581-14-4
• SMILES: O=[N+]([O-])c2ccc(C(=O)NCCCNCCCCNC(=O)c1ccc([N+]([O-])=O)cc1)cc2
• InChI: 1S/C21H25N5O6/c27-20(16-4-8-18(9-5-16)25(29)30)23-14-2-1-12-22-13-3-15-24-21(28)17-6-10-19(11-7-17)26(31)32/h4-11,22H,1-3,12-15H2,(H,23,27)(H,24,28)
• InChIKey: CITGVVGNJAJBKW-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 736.418°C at 760 mmHg (Cal.)
• Flash point: 399.171°C (Cal.)