(S)-3-((tert-Butoxycarbonyl)amino)-3-(2-hydroxyphenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-hydroxyphenyl)propanoic acid
• CAS No.: 499995-78-7
• Molecular Formula: C14H19NO5
• Molecular Weight: 281.3
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20426708
• Wikidata: Q82239536
• Mol file: 499995-78-7.mol

Synonyms:499995-78-7;(S)-3-((tert-Butoxycarbonyl)amino)-3-(2-hydroxyphenyl)propanoic acid;Boc-(S)-3-amino-3-(2-hydroxyphenyl)propionic acid;Boc-(S)-3-Amino-3-(2-hydroxy-phenyl)-propionic acid;(3S)-3-(2-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-hydroxyphenyl)propanoic acid;DTXSID20426708;ZUA99578;MFCD03427901;AKOS016843803;AC-25415;AS-68956;CS-0179090;boc-(s)-3-amino-3-(2-hydroxyphenyl)propanoic acid;(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(2-hydroxyphenyl)propanoic acid

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-hydroxyphenyl)propanoic acid

Chemical Property:

• Boiling Point: 472.1±40.0 °C(Predicted)
• PKA: 4.42±0.10(Predicted)
• PSA: 95.86000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 2.82360
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 281.12632271
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

98%min ^*data from raw suppliers

(S)-3-((tert-Butoxycarbonyl)amino)-3-(2-hydroxyphenyl)propanoicacid 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)NC(CC(=O)O)C1=CC=CC=C1O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1O