N-[(E)-(2-methoxy-2-methyl-1-phenylpropylidene)amino]-2,4-dinitroaniline

Base Information

• Chemical Name: N-[(E)-(2-methoxy-2-methyl-1-phenylpropylidene)amino]-2,4-dinitroaniline
• CAS No.: 7476-49-5
• Molecular Formula: C17H18N4O5
• Molecular Weight: 358.3486
• NSC Number: 401775
• DSSTox Substance ID: DTXSID50422137
• Mol file: 7476-49-5.mol

Synonyms:NSC401775;7476-49-5;DTXSID50422137;NSC-401775

Chemical Property of N-[(E)-(2-methoxy-2-methyl-1-phenylpropylidene)amino]-2,4-dinitroaniline

Chemical Property:

• Vapor Pressure: 1.62E-09mmHg at 25°C
• Boiling Point: 483.8°C at 760 mmHg
• Flash Point: 246.4°C
• Density: 1.28g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 358.12771969
• Heavy Atom Count: 26
• Complexity: 534

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2)OC
• Isomeric SMILES: CC(C)(/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2)OC