(S)-1-(tert-Butoxycarbonyl)-2-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1217732-47-2
• Molecular Formula: C17H21Cl2NO4
• Molecular Weight: 374.26
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60428024
• Wikidata: Q82240792
• Mol file: 1217732-47-2.mol

Synonyms:1217732-47-2;(S)-1-(tert-Butoxycarbonyl)-2-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid;(2S)-2-[(3,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;BOC-(S)-ALPHA-(3,4-DICHLORO-BENZYL)-PROLINE;(S)-1-(tert-Butoxycarbonyl)-2-(3,4-dichlorobenzyl)-pyrrolidine-2-carboxylic acid;starbld0000453;DTXSID60428024;MFCD06796788;PS-12586

Chemical Property of (S)-1-(tert-Butoxycarbonyl)-2-(3,4-dichlorobenzyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• PSA: 66.84000
• LogP: 4.32810
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 373.0847635
• Heavy Atom Count: 24
• Complexity: 494

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(3,4-dichlorobenzyl)-pyrrolidine-2-carboxylic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1(CC2=CC(=C(C=C2)Cl)Cl)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC(=C(C=C2)Cl)Cl)C(=O)O