1-(tert-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-(tert-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
• CAS No.: 939757-91-2
• Molecular Formula: C₁₆H₂₀ClNO₄
• Molecular Weight: 325.792
• DSSTox Substance ID: DTXSID30585618
• Mol file: 939757-91-2.mol

Synonyms:939757-91-2;1-(tert-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid;4-(3-chlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1217859-41-0;(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid;SCHEMBL13858719;DTXSID30585618;MFCD09026245;AKOS015841224;BS-18008;G69193;EN300-1454200;A844757;1-(tert-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylicacid;1-[(tert-butoxy)carbonyl]-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

Chemical Property of 1-(tert-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.01E-09mmHg at 25°C
• Boiling Point: 464.4°C at 760 mmHg
• Flash Point: 234.7°C
• PSA: 66.84000
• Density: 1.275g/cm³
• LogP: 3.31300
• Storage Temp.: 2-8°C
• 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-Butoxycarbonyl)-4-(3-chlorophenyl)pyrrolidine-3-carboxylicacid 97% ^*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=C2)Cl