1-[(Tert-butyl)oxycarbonyl]-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-[(Tert-butyl)oxycarbonyl]-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
• CAS No.: 939757-93-4
• Molecular Formula: C16H20ClNO4
• Molecular Weight: 325.79
• DSSTox Substance ID: DTXSID80391024
• Mol file: 939757-93-4.mol

Synonyms:939757-93-4;1-[(tert-butoxy)carbonyl]-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid;1212102-71-0;SCHEMBL16780715;DTXSID80391024;1-[(TERT-BUTYL)OXYCARBONYL]-4-(2-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;EN300-1454183;1-[(TERT-BUTYL)OXYCARBONYL]-4-(2-CHLOROPHENYL)PYRROLINE-3-CARBOXYLIC ACID

Chemical Property of 1-[(Tert-butyl)oxycarbonyl]-4-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 452.671°C at 760 mmHg
• Flash Point: 227.568°C
• PSA: 66.84000
• Density: 1.276g/cm³
• LogP: 3.31300
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 325.1080858
• Heavy Atom Count: 22
• Complexity: 434

Purity/Quality:

97% ^*data from raw suppliers

1-[(TERT-BUTYL)OXYCARBONYL]-4-(2-CHLOROPHENYL)PYRROLINE-3-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=CC=C2Cl