| CAS Number | 1247523-79-0 |
| Catalog Number | AG01AKE6(AGN-PC-0WO656) |
| Chemical Name | 4-(4-BROMOPHENYL)-1,2-DIMETHYL-1H-IMIDAZOL-5-AMINE |
| IUPAC Name | 5-(4-bromophenyl)-2,3-dimethylimidazol-4-amine |
| InChI | InChI=1S/C11H12BrN3/c1-7-14-10(11(13)15(7)2)8-3-5-9(12)6-4-8/h3-6H,13H2,1-2H3 |
| InChI Key | YHCWGTUUTGHKPR-UHFFFAOYSA-N |
| MDL Number | MFCD16694906 |
| Molecular Formula | C11H12BrN3 |
| Molecular Weight | 266.1371 |
| SMILES | CC1N(C)C(N)=C(C2=CC=C(Br)C=C2)N=1 |
| Synonyms | 4-(4-bromophenyl)-1,2-dimethyl-1H-imidazol-5-amine,
1247523-79-0,
SBB084537,
AKOS005217550,
ZINC100639718,
EN300-83854,
4-(4-bromophenyl)-1,2-dimethylimidazole-5-ylamine,
Z1259162029,
5-(4-Bromo-phenyl)-2,3-dimethyl-3H-imidazol-4-ylamine,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.142g/mol |
| Monoisotopic Mass | 265.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number