Clocapramine

Base Information

• Chemical Name: Clocapramine
• CAS No.: 47739-98-0
• Molecular Formula: C28H37ClN4O
• Molecular Weight: 481.07
• European Community (EC) Number: 248-805-8
• UNII: 6EEL1GB72K
• DSSTox Substance ID: DTXSID1057749
• Nikkaji Number: J10.005F
• Wikipedia: Clocapramine
• Wikidata: Q5134765
• NCI Thesaurus Code: C78010
• Metabolomics Workbench ID: 152077
• ChEMBL ID: CHEMBL2104103
• Mol file: 47739-98-0.mol

Synonyms:3-chlorocarpipramine;3-chlorocarpipramine dihydrochloride;3-chlorocarpipramine dihydrochloride monohydrate;clocapramine;Y-4153

Chemical Property of Clocapramine

Chemical Property:

• Vapor Pressure: 2.12E-17mmHg at 25°C
• Boiling Point: 662.1°C at 760 mmHg
• PKA: 16.20±0.20(Predicted)
• Flash Point: 354.2°C
• PSA: 53.80000
• Density: 1.195g/cm³
• LogP: 5.86310
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 480.2655895
• Heavy Atom Count: 34
• Complexity: 675

Purity/Quality:

97% ^*data from raw suppliers

CLOCAPRAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N

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