(S)-3-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid
• CAS No.: 499995-75-4
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.33
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80426608
• Wikidata: Q72449986
• Mol file: 499995-75-4.mol

Synonyms:499995-75-4;(S)-3-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid;Boc-(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid;Boc-3-methyl-D-beta-phenylalanine;Boc-(S)-3-amino-3-(3-methylphenyl)propionic acid;(3S)-3-(3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-methylphenyl)propanoic acid;SCHEMBL763475;DTXSID80426608;(S)-3-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoicacid;MFCD03427896;AKOS013463441;AC-25395;PS-12467;CS-0134717;EN300-1162734;A871690;boc-(s)-3-amino-3-(3-methylphenyl)propanoic acid;(S)-Boc-3-methyl-beta-Phe-OH, >=98.0% (HPLC);(S)-3-(BOC-AMINO)-3-(3-METHYL-PHENYL)-PROPIONIC ACID;(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(3-methylphenyl)propanoic acid

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid

Chemical Property:

• Boiling Point: 436.3 °C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 217.7 °C
• PSA: 75.63000
• Density: 1.138 g/cm³
• LogP: 3.42640
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(CC(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC1=CC(=CC=C1)[C@H](CC(=O)O)NC(=O)OC(C)(C)C