3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
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Basic information
- CAS
299165-24-5- Standard SMILES
NC(CC(=O)O)c1ccccc1C(F)(F)F- InChIKey
MXKROQQTKYAUJB-UHFFFAOYSA-N- Molecular formula
- C10H10F3NO2
- Average molar mass
- 233.19 g/mol
- Monoisotopic mass
- 233.06636305
Names & identifiers
- Preferred name
- 3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
- IUPAC
- 3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
- English name
- 3-AMINO-3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
- Molecular formula
- C10H10F3NO2
- Molecular weight
- 233.19
Names & synonyms
299165-24-53-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid3-Amino-3-[2-(trifluoromethyl)phenyl]propionic AcidMFCD01250834Benzenepropanoic acid, b-amino-2-(trifluoromethyl)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid2-TRIFLUOROMETHYL-DL-B-PHENYLALANINE(S)-3-Amino-3-(2-trifluoromethylphenyl)propionic acidEnamine_0006593-Amino-3-(2-trifluoromethyl-phenyl)propionic acidRARECHEM AL BL 0044
Show more names
2-TrifluoroMethyl-DL-β-Phenylalanine(R)-1-(2-fluoro-5-methylphenyl)propan-1-amineBenzenepropanoic acid, β-amino-2-(trifluoromethyl)-DL-3-Amino-3-(2-trifluoromethylphenyl)propanoic acid
SCHEMBL28199545DTXSID80408762MXKROQQTKYAUJB-UHFFFAOYSA-NHMS1395N21DL-3-AMINO-3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACIDAKOS000190728AKOS017268653AB08426
Database identifiers
- CAS
299165-24-5- PubChem CID
- 5146563
- DTXSID
DTXSID80408762
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 308.723 · 308.723±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.549 · 3.549±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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