12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid

Base Information

• Chemical Name: 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid
• CAS No.: 117056-67-4
• Molecular Formula: C25H40 N4 O5
• Molecular Weight: 476.61
• DSSTox Substance ID: DTXSID20922270
• Nikkaji Number: J775.410H
• Mol file: 117056-67-4.mol

Synonyms:12-N-methyl-7-nitrobenzo-2-oxa-1,3-diazolamino stearate;12-NBDS;NBD-stearate

Chemical Property of 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid

Chemical Property:

• Vapor Pressure: 9.54E-17mmHg at 25°C
• Boiling Point: 630.1°C at 760 mmHg
• Flash Point: 334.9°C
• PSA: 113.69000
• Density: 1.139g/cm³
• LogP: 6.23620
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 18
• Exact Mass: 476.29987039
• Heavy Atom Count: 34
• Complexity: 588

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-]