N-(4-Hydroxybutyl)-N-nitrosourea

Base Information

• Chemical Name: N-(4-Hydroxybutyl)-N-nitrosourea
• CAS No.: 108278-69-9
• Molecular Formula: C5H11 N3 O3
• Molecular Weight: 161.16
• DSSTox Substance ID: DTXSID80148474
• Wikidata: Q83014014
• Mol file: 108278-69-9.mol

Synonyms:N-(4-Hydroxybutyl)-N-nitrosourea;108278-69-9;1-(4-hydroxybutyl)-1-nitrosourea;CCRIS 1852;DTXSID80148474;AKOS006279426

Chemical Property of N-(4-Hydroxybutyl)-N-nitrosourea

Chemical Property:

• Vapor Pressure: 9.78E-05mmHg at 25°C
• Boiling Point: 302.2°Cat760mmHg
• PKA: 12.32±0.50(Predicted)
• Flash Point: 136.6°C
• PSA: 96.98000
• Density: 1.37g/cm³
• LogP: 0.33480
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 161.08004122
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

N-(4-HYDROXYBUTYL)-N-NITROSOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCO)CN(C(=O)N)N=O