(3S,4R)-4-m-Tolylpyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: (3S,4R)-4-m-Tolylpyrrolidine-3-carboxylic acid
• CAS No.: 1049727-99-2
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.25
• DSSTox Substance ID: DTXSID90376084
• Mol file: 1049727-99-2.mol

Synonyms:(3S,4R)-4-m-Tolylpyrrolidine-3-carboxylic acid;1049727-99-2;(3S,4R)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid;(3S,4R)-4-(m-tolyl)pyrrolidine-3-carboxylic acid;SCHEMBL1817812;DTXSID90376084;2103401-56-3;AKOS025401581;AC-22403;EN300-224522;EN300-399403;Z2306950320;rac-(3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid

Chemical Property of (3S,4R)-4-m-Tolylpyrrolidine-3-carboxylic acid

Chemical Property:

• PSA: 49.33000
• LogP: 1.71140
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2CNCC2C(=O)O
• Isomeric SMILES: CC1=CC(=CC=C1)[C@@H]2CNC[C@H]2C(=O)O