S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate

Base Information

• Chemical Name: S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate
• CAS No.: 20709-37-9
• Molecular Formula: C6H17N2O3PS
• Molecular Weight: 228.2495
• DSSTox Substance ID: DTXSID70174762
• Nikkaji Number: J23.873B
• Wikidata: Q83044888
• Mol file: 20709-37-9.mol

Synonyms:S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate;WR 2822;WR-2822

Chemical Property of S-(2-((4-aminobutyl)amino)ethyl)phosphorothioate

Chemical Property:

• Vapor Pressure: 5.13E-09mmHg at 25°C
• Boiling Point: 441.2°Cat760mmHg
• PKA: 1.29±0.10(Predicted)
• Flash Point: 220.6°C
• PSA: 130.69000
• Density: 1.317g/cm³
• LogP: 1.23200
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 228.06975058
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNCCSP(=O)(O)O)CN

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