N(alpha)-Dimethylneocoprogen

Base Information

• Chemical Name: N(alpha)-Dimethylneocoprogen
• CAS No.: 117852-95-6
• Molecular Formula: C31H49 Fe N6 O11
• Molecular Weight: 737.59936
• Mol file: 117852-95-6.mol

Synonyms:N(alpha)-dimethylneocoprogen

Chemical Property of N(alpha)-Dimethylneocoprogen

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 245.06000
• Density: g/cm³
• LogP: 0.99710
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 22
• Exact Mass: 737.280867
• Heavy Atom Count: 49
• Complexity: 1180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)[O-])[O-])C)N(C)C)[O-])CCO.[Fe+3]
• Isomeric SMILES: C/C(=C\C(=O)N(CCCC(C(=O)OCC/C(=C\C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)[O-])[O-])/C)N(C)C)[O-])/CCO.[Fe+3]