| CAS Number | 2044838-29-9 |
| Catalog Number | AG00IM8O(AGN-PC-0WRAH6) |
| Chemical Name | [4-(4-Methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride |
| IUPAC Name | [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;dihydrochloride |
| InChI | InChI=1S/C11H12N2S.2ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;;/h2-5,7H,6,12H2,1H3;2*1H |
| InChI Key | RVOMTOKXLQIYDC-UHFFFAOYSA-N |
| MDL Number | MFCD30476324 |
| Molecular Formula | C11H14Cl2N2S |
| Molecular Weight | 277.2133 |
| SMILES | Cl.Cl.CC1=C(C2=CC=C(CN)C=C2)SC=N1 |
| Synonyms | 2044838-29-9,
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride,
CS-15478,
Z2680629414,
[4-(4-METHYL-1,3-THIAZOL-5-YL)PHENYL]METHANAMINE 2HCL,
(4-(4-Methylthiazol-5-yl)phenyl)methanamine dihydrochloride,
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| Complexity | 178 |
| 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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Certificate of Analysis
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