| CAS Number | 1864074-84-9 |
| Catalog Number | AG01B7SC |
| Chemical Name | [(2-bromophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine dihydrochloride |
| IUPAC Name | N-[(2-bromophenyl)methyl]-2-imidazol-1-ylethanamine;dihydrochloride |
| InChI | InChI=1S/C12H14BrN3.2ClH/c13-12-4-2-1-3-11(12)9-14-5-7-16-8-6-15-10-16;;/h1-4,6,8,10,14H,5,7,9H2;2*1H |
| InChI Key | KKTVWJSPUYKRHK-UHFFFAOYSA-N |
| MDL Number | MFCD28246322 |
| Molecular Formula | C12H16BrCl2N3 |
| Molecular Weight | 353.0855 |
| SMILES | Cl.Cl.BrC1=C(CNCCN2C=NC=C2)C=CC=C1 |
| Synonyms | [(2-bromophenyl)methyl][2-(1H-imidazol-1-yl)ethyl]amine dihydrochloride,
1864074-84-9,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.085g/mol |
| Monoisotopic Mass | 350.99g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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