| CAS Number | 2031258-48-5 |
| Catalog Number | AG01B70T |
| Chemical Name | [3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]METHANAMINE DIHYDROCHLORIDE |
| IUPAC Name | [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanamine;dihydrochloride |
| InChI | InChI=1S/C11H12N2S.2ClH/c1-8-13-11(7-14-8)10-4-2-3-9(5-10)6-12;;/h2-5,7H,6,12H2,1H3;2*1H |
| InChI Key | VYNMKLFMYRIPTB-UHFFFAOYSA-N |
| MDL Number | MFCD30344855 |
| Molecular Formula | C11H14Cl2N2S |
| Molecular Weight | 277.2133 |
| SMILES | Cl.Cl.CC1SC=C(C2=CC(CN)=CC=C2)N=1 |
| Synonyms | [3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanamine dihydrochloride,
2031258-48-5,
Z2588063782,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.207g/mol |
| Monoisotopic Mass | 276.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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