| CAS Number | 115476-23-8 |
| Catalog Number | AG01AIUT(AGN-PC-0NYQWG) |
| Chemical Name | 2-Amino-3,3,3-trifluoro-2-methylpropanoic acid hydrochloride |
| IUPAC Name | 2-amino-3,3,3-trifluoro-2-methylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C4H6F3NO2.ClH/c1-3(8,2(9)10)4(5,6)7;/h8H2,1H3,(H,9,10);1H |
| InChI Key | OAWUZNVJBGNGEH-UHFFFAOYSA-N |
| MDL Number | MFCD18917401 |
| Molecular Formula | C4H7ClF3NO2 |
| Molecular Weight | 193.5521 |
| SMILES | Cl.CC(C(F)(F)F)(C(O)=O)N |
| Synonyms | 2-amino-3,3,3-trifluoro-2-methylpropanoic acid hydrochloride,
115476-23-8,
MFCD18917401,
C4H7ClF3NO2,
102210-02-6,
SCHEMBL19900734,
AKOS025213574,
MCULE-9761017768,
NE32153,
EN300-79079,
Z1269704823,
2-Amino-3,3,3-trifluoro-2-methyl-propanoic acid Hydrochloride,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.55g/mol |
| Monoisotopic Mass | 193.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number