| CAS Number | 76687-08-6 |
| Catalog Number | AG01BBCW |
| Chemical Name | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate |
| IUPAC Name | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate |
| InChI | InChI=1S/C9H14N2O2S/c1-4-13-7(12)9(2,3)6-5-14-8(10)11-6/h5H,4H2,1-3H3,(H2,10,11) |
| InChI Key | MSXIJOZJYSPLGG-UHFFFAOYSA-N |
| MDL Number | MFCD24623326 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CCOC(C(C1N=C(N)SC=1)(C)C)=O |
| Synonyms | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate,
76687-08-6,
SCHEMBL2322489,
MSXIJOZJYSPLGG-UHFFFAOYSA-N,
ZINC78404215,
AKOS023398824,
Z1983030731,
2-(2-Amino-thiazol-4-yl)-2-methyl-propionic acid ethyl ester,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number