(S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid
• CAS No.: 270062-96-9
• Molecular Formula: C16H23NO4
• Molecular Weight: 293.36
• DSSTox Substance ID: DTXSID901147010
• Mol file: 270062-96-9.mol

Synonyms:270062-96-9;(S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid;Boc-(S)-3-Amino-4-(4-methyl-phenyl)-butyric acid;(3S)-4-(4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid;Boc-(S)-3-amino-4-(4-methylphenyl)-butyric acid;Boc-(S)-3-Amino-4-(4-methylphenyl)butyric acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-methylphenyl)butanoic acid;Boc-4-methyl-L-beta-homophenylalanine;(S)-4-Methyl-b-(Boc-amino)benzenebutanoic acid;SCHEMBL1519889;(S)-3-(tert-butoxycarbonylamino)-4-p-tolylbutanoic acid;Boc-Phe(4-Me)-(C#CH2)OH;DTXSID901147010;MFCD01861026;AKOS015948902;CS-W012172;FD10093;AC-22236;PS-12263;EN300-12450381;(S)-Boc-4-methyl-beta-Homophe-OH, >=97.0% (HPLC);(S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoicacid;(betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenebutanoic acid

Chemical Property of (S)-3-((tert-butoxycarbonyl)amino)-4-(p-tolyl)butanoic acid

Chemical Property:

• Vapor Pressure: 3.39E-09mmHg at 25°C
• Refractive Index: 1.523
• Boiling Point: 458.4 °C at 760 mmHg
• Flash Point: 231 °C
• PSA: 75.63000
• Density: 1.122 g/cm³
• LogP: 3.29640
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 293.16270821
• Heavy Atom Count: 21
• Complexity: 354

Purity/Quality:

98%min ^*data from raw suppliers

Boc-(S)-3-amino-4-(4-methylphenyl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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