(S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid
• CAS No.: 1217648-30-0
• Molecular Formula: C21H25NO4
• Molecular Weight: 355.43
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00426862
• Wikidata: Q82239655
• Mol file: 1217648-30-0.mol

Synonyms:1217648-30-0;(S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid;BOC-(S)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic Acid;starbld0000447;DTXSID00426862;MFCD06659189;PS-12578;(2S)-1-[(tert-butoxy)carbonyl]-2-[(naphthalen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Chemical Property of (S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 524.1±43.0 °C(Predicted)
• PKA: 4.20±0.20(Predicted)
• PSA: 66.84000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 4.17450
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 355.17835828
• Heavy Atom Count: 26
• Complexity: 541

Purity/Quality:

98.5% ^*data from raw suppliers

(S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylicacid 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=CC3=CC=CC=C3C=C2)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC3=CC=CC=C3C=C2)C(=O)O