| CAS Number | 280781-74-0 |
| Catalog Number | AG01EJR4 |
| Chemical Name | 2-(aminomethyl)-1,3-thiazole-4-carbonitrile hydrochloride |
| IUPAC Name | 2-(aminomethyl)-1,3-thiazole-4-carbonitrile;hydrochloride |
| InChI | InChI=1S/C5H5N3S.ClH/c6-1-4-3-9-5(2-7)8-4;/h3H,2,7H2;1H |
| InChI Key | GADKCBBWERTBNI-UHFFFAOYSA-N |
| MDL Number | MFCD30493645 |
| Molecular Formula | C5H6ClN3S |
| Molecular Weight | 175.6392 |
| SMILES | Cl.NCC1SC=C(C#N)N=1 |
| Synonyms | 2-(aminomethyl)-1,3-thiazole-4-carbonitrile hydrochloride,
SCHEMBL1467409,
GADKCBBWERTBNI-UHFFFAOYSA-N,
2-aminomethyl-4-cyanothiazole hydrochloride,
F2147-8374,
280781-74-0,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.634g/mol |
| Monoisotopic Mass | 174.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number