6-(azepan-1-yl)-N~2~-methyl-5-nitropyrimidine-2,4-diamine

Base Information

• Chemical Name: 6-(azepan-1-yl)-N~2~-methyl-5-nitropyrimidine-2,4-diamine
• CAS No.: 5294-93-9
• Molecular Formula: C11H18N6O2
• Molecular Weight: 266.2996
• DSSTox Substance ID: DTXSID30397758
• Wikidata: Q82199339
• ChEMBL ID: CHEMBL2139340

Synonyms:6-(azepan-1-yl)-N~2~-methyl-5-nitropyrimidine-2,4-diamine;5294-93-9;MLS001213368;CHEMBL2139340;DTXSID30397758;HMS2871A11;STL346296;AKOS022112683;SMR000542809

Chemical Property of 6-(azepan-1-yl)-N~2~-methyl-5-nitropyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 3.55E-11mmHg at 25°C
• Boiling Point: 526.5°Cat760mmHg
• Flash Point: 272.2°C
• Density: 1.335g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 266.14912384
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=NC(=C(C(=N1)N2CCCCCC2)[N+](=O)[O-])N

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