Devapamil

Base Information

• Chemical Name: Devapamil
• CAS No.: 92302-55-1
• Molecular Formula: C26H36 N2 O3
• Molecular Weight: 424.58
• UNII: M6142PTV7J
• DSSTox Substance ID: DTXSID60869094
• Nikkaji Number: J355.443K,J355.444I,J33.154F
• Wikipedia: Devapamil
• Wikidata: Q5266508
• NCI Thesaurus Code: C77823
• Metabolomics Workbench ID: 55011
• ChEMBL ID: CHEMBL2074792
• Mol file: 92302-55-1.mol

Synonyms:2-(3,4-dimethoxyphenyl)-2-isopropyl-5-((2-(3-methoxyphenyl)ethyl)(methyl)amino)pentanenitrile;devapamil

Chemical Property of Devapamil

Chemical Property:

• Vapor Pressure: 7.14E-13mmHg at 25°C
• Boiling Point: 567°Cat760mmHg
• PKA: 9.08±0.50(Predicted)
• Flash Point: 296.7°C
• PSA: 54.72000
• Density: 1.047g/cm³
• LogP: 5.08448
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 424.27259301
• Heavy Atom Count: 31
• Complexity: 560

Purity/Quality:

98%min ^*data from raw suppliers

5-(N-(3-METHOXYPHENETHYL)-N-METHYLAMINO)-2-ISOPROPYL-2-(3,4-DIMETHOXYPHENYL)PENTANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CCCN(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=C(C=C2)OC)OC