2-[(3-chlorophenyl)methyl]-D-Proline

Base Information

• Chemical Name: 2-[(3-chlorophenyl)methyl]-D-Proline
• CAS No.: 637020-82-7
• Molecular Formula: C12H15Cl2NO2
• Molecular Weight: 276.16
• DSSTox Substance ID: DTXSID001289829
• Mol file: 637020-82-7.mol

Synonyms:(S)-alpha-(3-chlorobenzyl)-proline-HCl;2-[(3-chlorophenyl)methyl]-D-Proline;DTXSID001289829

Chemical Property of 2-[(3-chlorophenyl)methyl]-D-Proline

Chemical Property:

• Vapor Pressure: 1.04E-07mmHg at 25°C
• Boiling Point: 441.4 °C at 760 mmHg
• Flash Point: 220.7 °C
• PSA: 49.33000
• LogP: 3.22010
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 239.0713064
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-2-(3-Chlorobenzyl)pyrrolidine-2-carboxylicacidhydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(NC1)(CC2=CC(=CC=C2)Cl)C(=O)O
• Isomeric SMILES: C1C[C@](NC1)(CC2=CC(=CC=C2)Cl)C(=O)O