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

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid
• CAS No.: 499995-74-3
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.33
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20426607
• Mol file: 499995-74-3.mol

Synonyms:499995-74-3;(S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid;Boc-2-methyl-D-beta-phenylalanine;(3S)-3-(2-METHYLPHENYL)-3-[(2-METHYLPROPAN-2-YL)OXYCARBONYLAMINO]PROPANOIC ACID;Boc-(S)-3-Amino-3-(2-methyl-phenyl)-propionic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-methylphenyl)propanoic acid;(3S)-3-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2-METHYLPHENYL)PROPANOIC ACID;SCHEMBL19744367;DTXSID20426607;(S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoicacid;MFCD03427895;AKOS013461737;AC-22043;PS-12463;CS-0152984;F52530;EN300-1071178;A827921;boc-(s)-3-amino-3-(2-methylphenyl)propanoic acid;(S)-Boc-2-methyl-beta-Phe-OH, >=98.0% (HPLC);(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(2-methylphenyl)propanoic acid

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

Chemical Property:

• Vapor Pressure: 1.7E-08mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 439.4oC at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 219.5oC
• PSA: 75.63000
• Density: 1.138g/cm3
• LogP: 3.42640
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

99% ^*data from raw suppliers

(S)-Boc-2-methyl-β-Phe-OH ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(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