Cyclocholine

Base Information

• Chemical Name: Cyclocholine
• CAS No.: 56049-71-9
• Molecular Formula: C5H12NO+
• Molecular Weight: 102.15488
• DSSTox Substance ID: DTXSID00204602
• Nikkaji Number: J2.283.627G
• Wikidata: Q83078040
• Mol file: 56049-71-9.mol

Synonyms:1-methyl-1-(2-hydroxyethyl)aziridinium tosylate;choline mustard aziridinium;cyclocholine

Chemical Property of Cyclocholine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 20.23000
• Density: g/cm³
• LogP: -0.60230
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.091889006
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CC1)CCO