(S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride

Base Information

• Chemical Name: (S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride
• CAS No.: 246876-92-6
• Molecular Formula: C10H12 F N O2
• Molecular Weight: 233.67
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70375833
• Mol file: 246876-92-6.mol

Synonyms:(S)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOIC ACID HYDROCHLORIDE;246876-92-6;331763-61-2;(S)-3-AMINO-4-(2-FLUOROPHENYL)-BUTYRIC ACID-HCL;(S)-3-amino-4-(2-fluoro-phenyl)-butyric acid-HCl;(3S)-3-amino-4-(2-fluorophenyl)butanoic acid;hydrochloride;(3S)-3-amino-4-(2-fluorophenyl)butanoic acid hydrochloride;2-Fluoro-L-beta-homophenylalanine hydrochloride;DTXSID70375833;H-Phe(2-F)-(C#CH2)OH.HCl;MFCD01861003;AKOS015890231;FD10069;AC-22197;AS-48792;CS-0327792;(s)-3-amino-4-(2-fluorophenyl)butyric acid hcl;Benzenebutanoicacid,b-amino-2-fluoro-,hydrochloride(1:1),(bs)-;(3S)-3-Amino-4-(2-fluorophenyl)butanoic acid--hydrogen chloride (1/1)

Chemical Property of (S)-3-Amino-4-(2-fluorophenyl)butanoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 6.77E-05mmHg at 25°C
• Boiling Point: 330.2oC at 760 mmHg
• PKA: 3.73±0.10(Predicted)
• Flash Point: 153.5oC
• PSA: 63.32000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 2.67250
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.0618845
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

98%min ^*data from raw suppliers

2-Fluoro-L-beta-homophenylalanine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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