(R)-2-(4-methylbenzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (R)-2-(4-methylbenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 637020-62-3
• Molecular Formula: C13H17 N O2
• Molecular Weight: 255.74
• DSSTox Substance ID: DTXSID40375961
• Nikkaji Number: J1.945.744C
• Mol file: 637020-62-3.mol

Synonyms:637020-62-3;(R)-2-(4-methylbenzyl)pyrrolidine-2-carboxylic acid;(2R)-2-[(4-methylphenyl)methyl]pyrrolidine-2-carboxylic Acid;(R)-alpha-(4-Methylbenzyl)proline HCl;2-[(4-methylphenyl)methyl]-L-Proline;2-(4-Methylbenzyl)proline;SCHEMBL11242292;DTXSID40375961;AKOS015918123;(R)-2-(4-methylbenzyl)pyrrolidine-2-carboxylicacid

Chemical Property of (R)-2-(4-methylbenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.51E-06mmHg at 25°C
• Boiling Point: 376.1°C at 760 mmHg
• Flash Point: 181.3°C
• PSA: 49.33000
• Density: 1.154g/cm³
• LogP: 2.07310
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

99.3% ^*data from raw suppliers

(R)-α-(4-Methylbenzyl)proline·HCl ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC2(CCCN2)C(=O)O
• Isomeric SMILES: CC1=CC=C(C=C1)C[C@]2(CCCN2)C(=O)O