| CAS Number | 2031268-75-2 |
| Catalog Number | AG01B792 |
| Chemical Name | (3-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanamine dihydrochloride |
| IUPAC Name | (3-methoxyphenyl)-(1-methylimidazol-2-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C12H15N3O.2ClH/c1-15-7-6-14-12(15)11(13)9-4-3-5-10(8-9)16-2;;/h3-8,11H,13H2,1-2H3;2*1H |
| InChI Key | LMHHJQXJGAVJEE-UHFFFAOYSA-N |
| MDL Number | MFCD30345193 |
| Molecular Formula | C12H17Cl2N3O |
| Molecular Weight | 290.1889 |
| SMILES | Cl.Cl.COC1=CC(C(C2N(C)C=CN=2)N)=CC=C1 |
| Synonyms | (3-methoxyphenyl)(1-methyl-1H-imidazol-2-yl)methanamine dihydrochloride,
2031268-75-2,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.188g/mol |
| Monoisotopic Mass | 289.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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