Bimoclomol

Base Information

• Chemical Name: Bimoclomol
• CAS No.: 130493-03-7
• Molecular Formula: C14H20 Cl N3 O2
• Molecular Weight: 297.78
• UNII: 9IYF14814M
• NCI Thesaurus Code: C171764
• Metabolomics Workbench ID: 149708
• ChEMBL ID: CHEMBL2104595
• Mol file: 130493-03-7.mol

Synonyms:bimoclomol;bimoclomol, maleate (1:1)

Chemical Property of Bimoclomol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 454°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 57.95000
• Density: 1.27g/cm³
• LogP: 1.78330
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 297.1244046
• Heavy Atom Count: 20
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

BIMOCLOMOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC(CON=C(C2=CN=CC=C2)Cl)O
• Isomeric SMILES: C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\Cl)O