2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid

Base Information

• Chemical Name: 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
• CAS No.: 28958-86-3
• Molecular Formula: C6H10 N4 O4
• Molecular Weight: 202.168
• DSSTox Substance ID: DTXSID50951578
• Mol file: 28958-86-3.mol

Synonyms:C6H10N4O4;DTXSID50951578;2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid

Chemical Property of 2-(nitroamino)-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.78E-08mmHg at 25°C
• Boiling Point: 426.7°Cat760mmHg
• Flash Point: 211.9°C
• PSA: 119.54000
• Density: 1.76g/cm³
• LogP: 0.14110
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 202.07020481
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

1H-1,3-DIAZEPINE-4-CARBOXYLIC ACID,HEXAHYDRO-2-(NITROIMINO)-,(+)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC(=NC1)N[N+](=O)[O-])C(=O)O

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