[3-(4-Methylpiperazin-1-yl)-1-phenylpropyl] benzoate

Base Information

• Chemical Name: [3-(4-Methylpiperazin-1-yl)-1-phenylpropyl] benzoate
• CAS No.: 149848-03-3
• Molecular Formula: C21H26 N2 O2
• Molecular Weight: 338.44
• DSSTox Substance ID: DTXSID90933772
• Nikkaji Number: J534.843I
• Mol file: 149848-03-3.mol

Synonyms:149848-03-3;4-Methyl-alpha-phenyl-1-piperazinepropanol benzoate (ester);[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] benzoate;1-Piperazinepropanol, 4-methyl-alpha-phenyl-, benzoate (ester);DTXSID90933772;KAAQYRJCYGRFDW-UHFFFAOYSA-N;LS-113373;3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYLPROPYL BENZOATE;Benzoic acid 3-(4-methylpiperazin-1-yl)-1-phenylpropyl ester

Chemical Property of [3-(4-Methylpiperazin-1-yl)-1-phenylpropyl] benzoate

Chemical Property:

• Vapor Pressure: 7.29E-09mmHg at 25°C
• Boiling Point: 466.1°Cat760mmHg
• Flash Point: 235.7°C
• PSA: 32.78000
• Density: 1.104g/cm³
• LogP: 3.09800
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 338.199428076
• Heavy Atom Count: 25
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

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