3(R)-Chloromethyl-pyrrolidine-1-carboxylic acid benzyl ester

Base Information

• Chemical Name: 3(R)-Chloromethyl-pyrrolidine-1-carboxylic acid benzyl ester
• CAS No.: 1187927-31-6
• Molecular Formula: C13H16ClNO2
• Molecular Weight: 253.72
• DSSTox Substance ID: DTXSID901189565
• Mol file: 1187927-31-6.mol

Synonyms:3(R)-Chloromethyl-pyrrolidine-1-carboxylic acid benzyl ester;1187927-31-6;benzyl (3R)-3-(chloromethyl)pyrrolidine-1-carboxylate;benzyl (R)-3-(chloromethyl)pyrrolidine-1-carboxylate;DTXSID901189565;MFCD08059346;CS-0338903;3(R)-Chloromethyl-pyrrolidine-1-carboxylicacidbenzylester;Phenylmethyl (3R)-3-(chloromethyl)-1-pyrrolidinecarboxylate

Chemical Property of 3(R)-Chloromethyl-pyrrolidine-1-carboxylic acid benzyl ester

Chemical Property:

• PKA: -2.06±0.40(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 253.0869564
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

98% ^*data from raw suppliers

3(R)-Chloromethyl-pyrrolidine-1-carboxylicAcidBenzylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC1CCl)C(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C1CN(C[C@@H]1CCl)C(=O)OCC2=CC=CC=C2