Sisamine

Base Information

• Chemical Name: Sisamine
• CAS No.: 91109-84-1
• Molecular Formula: C12H26N4O8S
• Molecular Weight: 386.42
• DSSTox Substance ID: DTXSID70919953
• Mol file: 91109-84-1.mol

Synonyms:sisamine

Chemical Property of Sisamine

Chemical Property:

• Vapor Pressure: 1.64E-11mmHg at 25°C
• Boiling Point: 486.6°Cat760mmHg
• Flash Point: 248.1°C
• PSA: 245.98000
• Density: g/cm³
• LogP: 0.29720
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 386.14713497
• Heavy Atom Count: 25
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=C(OC(C1N)OC2C(CC(C(C2O)O)N)N)CN.OS(=O)(=O)O
• Isomeric SMILES: C1C=C(O[C@@H]([C@@H]1N)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O)N)N)CN.OS(=O)(=O)O