| CAS Number | 1803601-77-5 |
| Catalog Number | AG01BCYU |
| Chemical Name | Ethyl 2-[3-(aminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate hydrochloride |
| IUPAC Name | ethyl 2-[3-(aminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C14H16N2O2S.ClH/c1-3-18-14(17)12-9(2)16-13(19-12)11-6-4-5-10(7-11)8-15;/h4-7H,3,8,15H2,1-2H3;1H |
| InChI Key | TUIBBAQJOAZHKD-UHFFFAOYSA-N |
| MDL Number | MFCD28012354 |
| Molecular Formula | C14H17ClN2O2S |
| Molecular Weight | 312.815 |
| SMILES | O=C(C1=C(C)N=C(C2=CC=CC(CN)=C2)S1)OCC.[H]Cl |
| Synonyms | ethyl 2-[3-(aminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate hydrochloride,
1803601-77-5,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.812g/mol |
| Monoisotopic Mass | 312.07g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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