| CAS Number | 1219173-79-1 |
| Catalog Number | AG00HGIP(AGN-PC-0WBKDS) |
| Chemical Name | Methyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate dihydrochloride |
| IUPAC Name | methyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;dihydrochloride |
| InChI | InChI=1S/C6H8N2O2S.2ClH/c1-10-6(9)4-3-11-5(2-7)8-4;;/h3H,2,7H2,1H3;2*1H |
| InChI Key | JEKRKBLTZUNSFQ-UHFFFAOYSA-N |
| MDL Number | MFCD12914025 |
| Molecular Formula | C6H10Cl2N2O2S |
| Molecular Weight | 245.1268 |
| SMILES | NCc1scc(n1)C(=O)OC.Cl.Cl |
| Synonyms | 1219173-79-1,
Methyl 2-(aminomethyl)thiazole-4-carboxylate dihydrochloride,
METHYL 2-(AMINOMETHYL)-1,3-THIAZOLE-4-CARBOXYLATE DIHYDROCHLORIDE,
MFCD12914025,
AKOS015948084,
AM805593,
CS-0038954,
Methyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate 2HCl,
METHYL 2-(AMINOMETHYL)-1,3-THIAZOLE-4-CARBOXYLATE 2HCL,
methyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;dihydrochloride,
METHYL 2-(AMINOMETHYL)-1,3-THIAZOLE-4-CARBOXYLATE DIHYDROCHLORIDE,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.118g/mol |
| Monoisotopic Mass | 243.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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