1,3-Bis(4-hydroxycyclohexyl)-1-nitrosourea

Base Information

• Chemical Name: 1,3-Bis(4-hydroxycyclohexyl)-1-nitrosourea
• CAS No.: 80413-77-0
• Molecular Formula: C13H23 N3 O4
• Molecular Weight: 285.34
• NSC Number: 305715
• DSSTox Substance ID: DTXSID301001228
• Mol file: 80413-77-0.mol

Synonyms:BHCNU;N,N'-bis(4-hydroxycyclohexyl)-N'-nitrosourea

Chemical Property of 1,3-Bis(4-hydroxycyclohexyl)-1-nitrosourea

Chemical Property:

• PKA: 10.72±0.40(Predicted)
• PSA: 102.23000
• Density: 1.46g/cm³
• LogP: 1.67730
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 285.16885622
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1NC(=O)N(C2CCC(CC2)O)N=O)O