3-Boc-amino-3-(2,4-dichlorophenyl)-propanoic acid

Base Information

• Chemical Name: 3-Boc-amino-3-(2,4-dichlorophenyl)-propanoic acid
• CAS No.: 683219-22-9
• Molecular Formula: C14H17Cl2NO4
• Molecular Weight: 334.2
• DSSTox Substance ID: DTXSID20703480
• Mol file: 683219-22-9.mol

Synonyms:3-BOC-AMINO-3-(2,4-DICHLOROPHENYL)-PROPANOIC ACID;SCHEMBL17513403;DTXSID20703480;AS-81998;2-AMINO-4-(TERT-BUTOXY)-3-(2,4-DICHLOROPHENYL)-4-OXOBUTANOIC ACID;2-Amino-4-tert-butoxy-3-(2,4-dichlorophenyl)-4-oxobutanoic acid (non-preferred name)

Chemical Property of 3-Boc-amino-3-(2,4-dichlorophenyl)-propanoic acid

Chemical Property:

• Vapor Pressure: 7.77E-10mmHg at 25°C
• Boiling Point: 475.2°C at 760 mmHg
• PKA: 4.22±0.10(Predicted)
• Flash Point: 241.2°C
• PSA: 75.63000
• Density: 1.321g/cm³
• LogP: 4.42480
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 333.0534634
• Heavy Atom Count: 21
• Complexity: 397

Purity/Quality:

99% ^*data from raw suppliers

3-TERT-BUTOXYCARBONYLAMINO-3-(2,4-DICHLORO-PHENYL)-PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(C1=C(C=C(C=C1)Cl)Cl)C(C(=O)O)N

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