(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid
• CAS No.: 500770-78-5
• Molecular Formula: C15H18F3NO4
• Molecular Weight: 333.307
• European Community (EC) Number: 800-741-7
• DSSTox Substance ID: DTXSID00426706
• Wikidata: Q82239533
• Mol file: 500770-78-5.mol

Synonyms:500770-78-5;(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid;Boc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic Acid;(S)-Boc-3-(trifluoromethyl)-beta-Phe-OH;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-[3-(trifluoromethyl)phenyl]propanoic acid;Boc-(S)-3-amino-3-(3-trifluoromethylphenyl)propionic acid;SCHEMBL15226726;DTXSID00426706;UPKLBXIBSSZUID-NSHDSACASA-N;MFCD03427926;AKOS016843676;Boc-3-Trifluoromethyl-L-b-phenylalanine;AC-25357;PS-12192;EN300-1071224;A871672;(S)-Boc-3-(trifluoromethyl)-beta-Phe-OH, >=98.0%;boc-(s)-3-amino-3-(3-trifluoromethylphenyl)propanoic acid;(3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID;(S)-3-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoicacid

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

Chemical Property:

• Vapor Pressure: 1.21E-07mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 415.4°C at 760 mmHg
• PKA: 4.23±0.10(Predicted)
• Flash Point: 205°C
• PSA: 75.63000
• Density: 1.269g/cm³
• LogP: 4.13680
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 333.11879254
• Heavy Atom Count: 23
• Complexity: 431

Purity/Quality:

99%+, ^*data from raw suppliers

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