Home Other Building Blocks 3,3,3-Trifluoro-dl-alanine

3,3,3-Trifluoro-dl-alanine

CAS No.:
17463-43-3
Catalog Number:
AG003IBS
Molecular Formula:
C3H4F3NO2
Molecular Weight:
143.0646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
1 week
United States
$94
- +
250mg
98%
1 week
United States
$142
- +
1g
98%
1 week
United States
$309
- +
5g
98%
1 week
United States
$1219
- +
Product Description
Catalog Number:
AG003IBS
Chemical Name:
3,3,3-Trifluoro-dl-alanine
CAS Number:
17463-43-3
Molecular Formula:
C3H4F3NO2
Molecular Weight:
143.0646
MDL Number:
MFCD00004263
IUPAC Name:
2-amino-3,3,3-trifluoropropanoic acid
InChI:
InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)
InChI Key:
HMJQKIDUCWWIBW-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)C(=O)O
EC Number:
241-478-2
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.019g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
143.065g/mol
Monoisotopic Mass:
143.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  
Literature
Title Journal
Low energy (0-10 eV) electron driven reactions in the halogenated organic acids CCl3COOH, CClF2COOH, and CF3CHNH2COOH (trifluoroalanine). The Journal of chemical physics 20110928
A novel route to dipeptides via noncondensation of amino acids: 2-aminoperfluoropropene as a synthon for trifluoroalanine dipeptides. Organic letters 20060302
Identification and role of ionizing functional groups at the active center of Rhodotorula gracilis D-amino acid oxidase. FEBS letters 20011102
Identification of the active-site residue of gamma-cystathionase labeled by the suicide inactivator beta, beta, beta-trifluoroalanine. Biochemistry 19820803
Properties