12-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Octadecanoic Acid
[CAS# 117056-67-4]

Identification

• Name: 12-[Methyl-(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]Octadecanoic Acid
• Synonyms: 12-[Methyl-(7-Nitrobenzofurazan-4-Yl)Amino]Stearic Acid; 12-N-Methyl-7-Nitrobenzo-2-Oxa-1,3-Diazolamino Stearate; 12-Nbds
• Molecular Formula: C₂₅H₄₀N₄O₅
• Molecular Weight: 476.61
• CAS Registry Number: 117056-67-4
• SMILES: C2=C(C1=NON=C1C(=C2)[N+](=O)[O-])N(C(CCCCCCCCCCC(O)=O)CCCCCC)C
• InChI: 1S/C25H40N4O5/c1-3-4-5-12-15-20(16-13-10-8-6-7-9-11-14-17-23(30)31)28(2)21-18-19-22(29(32)33)25-24(21)26-34-27-25/h18-20H,3-17H2,1-2H3,(H,30,31)
• InChIKey: SAAVELCIPHKGJE-UHFFFAOYSA-N

Properties

• Density: 1.14g/cm³ (Cal.)
• Boiling point: 630.149°C at 760 mmHg (Cal.)
• Flash point: 334.902°C (Cal.)