Benzyl methyl(2-(pyrrolidin-1-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)carbamate

Base Information

• Chemical Name: Benzyl methyl(2-(pyrrolidin-1-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)carbamate
• CAS No.: 675602-69-4
• Molecular Formula: C22H25F3N2O2
• Molecular Weight: 406.44
• DSSTox Substance ID: DTXSID70375212
• Mol file: 675602-69-4.mol

Synonyms:675602-69-4;benzyl methyl(2-(pyrrolidin-1-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)carbamate;1-Pyrrolidin-2-(3'-trifluoromethylphenyl)-2-(N-Cbz-N-methyl)amino-ethane;Benzyl N-methyl-N-[2-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate;Benzylmethyl(2-(pyrrolidin-1-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)carbamate;Benzyl methyl{2-(pyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate;DTXSID70375212;WYDUDCFIXKXWER-UHFFFAOYSA-N;MFCD03426432;AB14932;CS-0172394

Chemical Property of Benzyl methyl(2-(pyrrolidin-1-yl)-1-(3-(trifluoromethyl)phenyl)ethyl)carbamate

Chemical Property:

• Vapor Pressure: 4.49E-09mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 471.9°C at 760 mmHg
• Flash Point: 239.2°C
• PSA: 32.78000
• Density: 1.219g/cm³
• LogP: 5.04880
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 406.18681253
• Heavy Atom Count: 29
• Complexity: 517

Purity/Quality:

98% ^*data from raw suppliers

METHYL-[2-PYRROLIDIN-1-YL-1-(3-TRIFLUOROMETHYL-PHENYL)-ETHYL]-CARBAMIC ACID BENZYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(CN1CCCC1)C2=CC(=CC=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3