5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile

Base Information

• Chemical Name: 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile
• CAS No.: 51802-55-2
• Molecular Formula: C9H8N4
• Molecular Weight: 172.189
• NSC Number: 174510
• DSSTox Substance ID: DTXSID90306164
• Nikkaji Number: J1.543.228D
• Mol file: 51802-55-2.mol

Synonyms:5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile;51802-55-2;NSC174510;SCHEMBL7078215;DTXSID90306164;MAFHEXKPIODQPC-UHFFFAOYSA-N;MFCD03618030;AKOS005086909;NSC-174510;2,3-dicyano-5,7-dimethyl-6H-1,4-diazepine;2W-0285

Chemical Property of 5,7-dimethyl-6H-1,4-diazepine-2,3-dicarbonitrile

Chemical Property:

• Vapor Pressure: 0.149mmHg at 25°C
• Boiling Point: 215.2°Cat760mmHg
• Flash Point: 84°C
• PSA: 72.30000
• Density: 1.14g/cm³
• LogP: 0.44186
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 172.074896272
• Heavy Atom Count: 13
• Complexity: 379

Purity/Quality:

99%min ^*data from raw suppliers

5,7-DIMETHYL-6H-1,4-DIAZEPINE-2,3-DICARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(N=C(C1)C)C#N)C#N