| CAS Number | 644950-35-6 |
| Catalog Number | AG019TB3(AGN-PC-0WO74Q) |
| Chemical Name | Methyl(([4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl))amine |
| IUPAC Name | N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine |
| InChI | InChI=1S/C6H7F3N2S/c1-10-2-5-11-4(3-12-5)6(7,8)9/h3,10H,2H2,1H3 |
| InChI Key | PMTAJXFTZWVRGZ-UHFFFAOYSA-N |
| MDL Number | MFCD05222545 |
| Molecular Formula | C6H7F3N2S |
| Molecular Weight | 196.1934 |
| SMILES | CNCC1SC=C(C(F)(F)F)N=1 |
| Synonyms | methyl({[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl})amine,
644950-35-6,
2-Thiazolemethanamine, N-methyl-4-(trifluoromethyl)-,
SCHEMBL2711073,
ZINC3711098,
AKOS009097867,
NE13020,
Z1318186473,
AC1MNIBI,
CID3353222,
N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.028204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.2g/mol |
| Monoisotopic Mass | 196.028204g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number