Dinitrosocaffeidine

Base Information

• Chemical Name: Dinitrosocaffeidine
• CAS No.: 145438-97-7
• Molecular Formula: C7H10 N6 O3
• Molecular Weight: 226.19
• UNII: ZG1EQ0AZ2V
• DSSTox Substance ID: DTXSID7040231
• Nikkaji Number: J524.578H
• Wikidata: Q27295459
• Mol file: 145438-97-7.mol

Synonyms:dinitrosocaffeidine

Chemical Property of Dinitrosocaffeidine

Chemical Property:

• Vapor Pressure: 1.85E-09mmHg at 25°C
• Boiling Point: 482.3°Cat760mmHg
• Flash Point: 245.5°C
• PSA: 100.23000
• Density: 1.48g/cm³
• LogP: 0.29110
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 226.08143820
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

DINITROSOCAFFEIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=NC(=C1C(=O)N(C)N=O)N(C)N=O