N-[(E)-(2-methoxy-2-phenylcycloheptylidene)amino]-2,4-dinitroaniline

Base Information

• Chemical Name: N-[(E)-(2-methoxy-2-phenylcycloheptylidene)amino]-2,4-dinitroaniline
• CAS No.: 7472-88-0
• Molecular Formula: C20H22N4O5
• Molecular Weight: 398.4125
• NSC Number: 401947
• DSSTox Substance ID: DTXSID80429831
• Mol file: 7472-88-0.mol

Synonyms:NSC401947;7472-88-0;DTXSID80429831;NSC-401947

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

Chemical Property:

• Vapor Pressure: 4.08E-12mmHg at 25°C
• Boiling Point: 549.3°Cat760mmHg
• Flash Point: 286°C
• Density: 1.32g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 398.15901982
• Heavy Atom Count: 29
• Complexity: 611

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1(CCCCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3
• Isomeric SMILES: COC\1(CCCCC/C1=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3