| CAS Number | 171670-22-7 |
| Catalog Number | AG01C3MU(AGN-PC-0Q9YWE) |
| Chemical Name | Methyl 5-(aminomethyl)thiophene-2-carboxylate hydrochloride |
| IUPAC Name | methyl 5-(aminomethyl)thiophene-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C7H9NO2S.ClH/c1-10-7(9)6-3-2-5(4-8)11-6;/h2-3H,4,8H2,1H3;1H |
| InChI Key | JUQDJGJWEGNMSX-UHFFFAOYSA-N |
| MDL Number | MFCD28894665 |
| Molecular Formula | C7H10ClNO2S |
| Molecular Weight | 207.6778 |
| SMILES | O=C(C1=CC=C(CN)S1)OC.[H]Cl |
| Synonyms | 171670-22-7,
methyl 5-(aminomethyl)thiophene-2-carboxylate hydrochloride,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.672g/mol |
| Monoisotopic Mass | 207.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^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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