N-Chloroethylnitrosourea asparaginamide

Base Information

• Chemical Name: N-Chloroethylnitrosourea asparaginamide
• CAS No.: 81965-31-3
• Molecular Formula: C7H12ClN5O4
• Molecular Weight: 265.6543
• DSSTox Substance ID: DTXSID101002337
• Wikidata: Q82996481
• Mol file: 81965-31-3.mol

Synonyms:AspCNU;N-chloroethylnitrosourea asparaginamide;N-chloroethylnitrosourea-L-asparaginamide

Chemical Property of N-Chloroethylnitrosourea asparaginamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.68g/cm³
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 265.0577816
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCl)N(C(=O)NC(CC(=O)N)C(=O)N)N=O
• Isomeric SMILES: C(CCl)N(C(=O)N[C@@H](CC(=O)N)C(=O)N)N=O