Isonipecotic acid, 1-(beta-(4-methyl-1-piperazinyl)phenethyl)-4-phenyl-, ethyl ester, trihydrochloride

Base Information

• Chemical Name: Isonipecotic acid, 1-(beta-(4-methyl-1-piperazinyl)phenethyl)-4-phenyl-, ethyl ester, trihydrochloride
• CAS No.: 13451-62-2
• Molecular Formula: C27H40Cl3N3O2
• Molecular Weight: 544.9844
• DSSTox Substance ID: DTXSID30928642

Synonyms:13451-62-2;Isonipecotic acid, 1-(beta-(4-methyl-1-piperazinyl)phenethyl)-4-phenyl-, ethyl ester, trihydrochloride;C27H37N3O2.3ClH;DTXSID30928642;C27-H37-N3-O2.3Cl-H;LS-85125;Ethyl 1-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/3)

Chemical Property of Isonipecotic acid, 1-(beta-(4-methyl-1-piperazinyl)phenethyl)-4-phenyl-, ethyl ester, trihydrochloride

Chemical Property:

• Vapor Pressure: 4.48E-11mmHg at 25°C
• Boiling Point: 524°Cat760mmHg
• Flash Point: 270.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 543.218611
• Heavy Atom Count: 35
• Complexity: 570

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CC(C2=CC=CC=C2)N3CCN(CC3)C)C4=CC=CC=C4.Cl.Cl.Cl

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