1-Benzyl-4-ethylpyrrolidine-3-carbonitrile

Base Information

• Chemical Name: 1-Benzyl-4-ethylpyrrolidine-3-carbonitrile
• CAS No.: 115687-25-7
• Molecular Formula: C14H18 N2
• Molecular Weight: 214.31
• DSSTox Substance ID: DTXSID50399017
• Mol file: 115687-25-7.mol

Synonyms:115687-25-7;1-benzyl-4-ethylpyrrolidine-3-carbonitrile;1-benzyl-4-ethyl-pyrrolidine-3-carbonitrile;3-Pyrrolidinecarbonitrile, 4-ethyl-1-(phenylmethyl)-;DTXSID50399017

Chemical Property of 1-Benzyl-4-ethylpyrrolidine-3-carbonitrile

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 335.5°Cat760mmHg
• PKA: 7.31±0.60(Predicted)
• Flash Point: 139.2°C
• PSA: 27.03000
• Density: 1.04g/cm³
• LogP: 2.60608
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.146998583
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

1-BENZYL-4-ETHYL-PYRROLIDINE-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN(CC1C#N)CC2=CC=CC=C2