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

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-hydroxyphenyl)propanoic acid
• CAS No.: 499995-79-8
• Molecular Formula: C14H19NO5
• Molecular Weight: 281.3
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50426615
• ChEMBL ID: CHEMBL4939042
• Mol file: 499995-79-8.mol

Synonyms:499995-79-8;(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-hydroxyphenyl)propanoic acid;Boc-(S)-3-amino-3-(3-hydroxyphenyl)propionic acid;Boc-(S)-3-Amino-3-(3-hydroxy-phenyl)-propionic acid;Boc-3-Hydroxy-L-b-phenylalanine;(3S)-3-(3-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-hydroxyphenyl)propanoic acid;CHEMBL4939042;DTXSID50426615;MFCD03427902;AKOS016843809;AC-22037;AC-25420;AS-72394;CS-0179091;A50450;boc-(s)-3-amino-3-(3-hydroxyphenyl)propanoic acid;(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid

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

Chemical Property:

• Vapor Pressure: 2.54E-10mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 487.6°C at 760 mmHg
• PKA: 4.35±0.10(Predicted)
• Flash Point: 248.7°C
• PSA: 95.86000
• Density: 1.236g/cm³
• LogP: 2.82360
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• 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:

99% ^*data from raw suppliers

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