| CAS Number | 119305-52-1 |
| Catalog Number | AG008RR0(AGN-PC-0NZTUV) |
| Chemical Name | DL-2-(Trifluoromethyl)norvaline |
| IUPAC Name | 2-amino-2-(trifluoromethyl)pentanoic acid |
| InChI | InChI=1S/C6H10F3NO2/c1-2-3-5(10,4(11)12)6(7,8)9/h2-3,10H2,1H3,(H,11,12) |
| InChI Key | ZXSSTMOVBIXHDN-UHFFFAOYSA-N |
| MDL Number | MFCD01320781 |
| Molecular Formula | C6H10F3NO2 |
| Molecular Weight | 185.1443 |
| SMILES | CCCC(C(F)(F)F)(C(O)=O)N |
| Synonyms | 2-amino-2-(trifluoromethyl)pentanoic Acid,
2-Amino-2-trifluoromethyl-pentanoic acid,
DL-2-(Trifluoromethyl)norvaline,
119305-52-1,
EN300-90130,
AC1MCRT4,
AC1Q2ULL,
CTK6D3638,
ZX-AP000047,
MFCD01320781,
PC7241,
SBB090254,
AKOS009157404,
BBV-38207250,
A57112,
CID2777564,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.146g/mol |
| Monoisotopic Mass | 185.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number