(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
• CAS No.: 499995-81-2
• Molecular Formula: C14H17Cl2NO4
• Molecular Weight: 334.2
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40426705
• Wikidata: Q82239531
• Mol file: 499995-81-2.mol

Synonyms:499995-81-2;(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid;Boc-(S)-3-Amino-3-(2,4-dichloro-phenyl)-propionic acid;(3S)-3-(2,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,4-dichlorophenyl)propanoic acid;DTXSID40426705;ZUA99581;MFCD03427904;AKOS016843802;DS-3947;AC-25380;CS-0154513;C75331;EN300-1162709;boc-(s)-3-amino-3-(2,4-dichlorophenyl)propanoic acid;(3S)-3-[(tert-Butoxycarbonyl)amino]-3-(2,4-dichlorophenyl)propanoic acid

Chemical Property of (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

Chemical Property:

• Boiling Point: 475.2±45.0 °C(Predicted)
• PKA: 4.22±0.10(Predicted)
• PSA: 75.63000
• Density: 1.321±0.06 g/cm3(Predicted)
• LogP: 4.42480
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 333.0534634
• Heavy Atom Count: 21
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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