3-[(Tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid

Base Information

• Chemical Name: 3-[(Tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid
• CAS No.: 284493-59-0
• Molecular Formula: C₁₄H₁₈FNO₄
• Molecular Weight: 283.3
• Hs Code.: 2924299090
• European Community (EC) Number: 671-590-0
• DSSTox Substance ID: DTXSID10382425
• Mol file: 284493-59-0.mol

Synonyms:284493-59-0;3-[(tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid;3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-FLUOROPHENYL)PROPANOIC ACID;3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;Boc-3-Amino-3-(3-fluorophenyl)propionic acid;3-n-boc-amino-3-(3-fluorophenyl)propionic acid;3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid;3-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoicacid;3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3-FLUOROPHENYL)PROPANOICACID;Boc-(S)-3-amino-3-(3-fluorophenyl)propionic acid;5-AMINOCAPROICACID;SCHEMBL6259288;DTXSID10382425;3-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)propanoic acid;MFCD02090701;AKOS005070976;AB15174;FT-0630142;FT-0644338;FT-0774132;3-(boc-amino)-3-(3-fluorophenyl)propanoic acid;EN300-1286705;7R-0633;A819453;J-510390;Z1201019792;3-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl) propanoic acid

Chemical Property of 3-[(Tert-butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 7.03E-08mmHg at 25°C
• Melting Point: 124-126°C
• Refractive Index: 1.516
• Boiling Point: 422.1 °C at 760 mmHg
• PKA: 4.26±0.10(Predicted)
• Flash Point: 209.1 °C
• PSA: 75.63000
• Density: 1.214 g/cm³
• LogP: 3.25710
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 283.12198622
• Heavy Atom Count: 20
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

3-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)F
• Uses: 3-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic Acid is used for study of potent, selective and orally bioavailable leucine-rich repeat kinase 2 (LRRK2) inhibitors.