Chlorothen citrate

Base Information

• Chemical Name: Chlorothen citrate
• CAS No.: 148-64-1
• Deprecated CAS: 37317-05-8
• Molecular Formula: C20H26ClN3O7S
• Molecular Weight: 487.95434
• European Community (EC) Number: 205-720-0
• UNII: 0X60R85C0J
• DSSTox Substance ID: DTXSID6059734
• Wikidata: Q27231211
• NCI Thesaurus Code: C76670
• ChEMBL ID: CHEMBL2104500
• Mol file: 148-64-1.mol

Synonyms:chlorothen;chlorothen citrate

Chemical Property of Chlorothen citrate

Chemical Property:

• Vapor Pressure: 6.83E-07mmHg at 25°C
• Melting Point: 112-116°
• Boiling Point: 408.8°Cat760mmHg
• Flash Point: 201°C
• PSA: 179.74000
• Density: g/cm³
• LogP: 2.11620
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 487.1179990
• Heavy Atom Count: 32
• Complexity: 492

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCN(CC1=CC=C(S1)Cl)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O