(S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid

Base Information

• Chemical Name: (S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
• CAS No.: 755749-11-2
• Molecular Formula: C10H10 F3 N O2
• Molecular Weight: 233.19
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID80366176
• Mol file: 755749-11-2.mol

Synonyms:755749-11-2;(S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid;(S)-3-AMINO-3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid;(S)-3-Amino-3-(2-trifluoromethylphenyl)propionic acid;DTXSID80366176;MXKROQQTKYAUJB-QMMMGPOBSA-N;MFCD04113683;(S)-2-Trifluoromethyl-b-phenylalanine;AKOS016842760;CS-0315609;EN300-7370262;A838453;(S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoicacid;(s)-3-amino-3-(2-trifluoromethylphenyl)propanoic acid;(S)-3-amino-3-(2-trifluoromethyl-phenyl)-propionic acid, AldrichCPR

Chemical Property of (S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000289mmHg at 25°C
• Boiling Point: 308.7oC at 760 mmHg
• PKA: 3.55±0.10(Predicted)
• Flash Point: 140.5oC
• PSA: 63.32000
• Density: 1.361g/cm3
• LogP: 2.88020
• Storage Temp.: 2-8°C
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 233.06636305
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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