(s)-3-Amino-3-(3-chlorophenyl)propanoic acid

Base Information

• Chemical Name: (s)-3-Amino-3-(3-chlorophenyl)propanoic acid
• CAS No.: 774178-18-6
• Molecular Formula: C9H10 Cl N O2
• Molecular Weight: 199.6342
• Hs Code.: 2922499990
• European Community (EC) Number: 676-004-7
• DSSTox Substance ID: DTXSID00353301
• Nikkaji Number: J2.350.084A
• Mol file: 774178-18-6.mol

Synonyms:774178-18-6;(s)-3-amino-3-(3-chlorophenyl)propanoic acid;(3s)-3-amino-3-(3-chlorophenyl)propanoic acid;(s)-3-amino-3-(3-chloro-phenyl)-propionic acid;(S)-beta-(3-Chlorophenyl)alanine;(S)-3-Amino-3-(3-chlorophenyl)propanoicacid;(s)-3-amino-3-(3-chlorophenyl)propionic acid;S-3-Amino-3-(3-chloro-phenyl)-propionic acid;Benzenepropanoic acid, b-amino-3-chloro-, (bS)-;SCHEMBL6983314;DTXSID00353301;H-D-Phg(3-Cl)-(C#CH2)OH;MFCD04113687;AKOS010394725;AS-37340;CS-0156928;A13395;EN300-1286865

Chemical Property of (s)-3-Amino-3-(3-chlorophenyl)propanoic acid

Chemical Property:

• Boiling Point: 334.7±32.0 °C(Predicted)
• PKA: 3.60±0.10(Predicted)
• PSA: 63.32000
• Density: 1.333±0.06 g/cm3(Predicted)
• LogP: 2.51480
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Amino-3-(3-chloro-phenyl)-propionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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