| CAS Number | 1173036-46-8 |
| Catalog Number | AG019UJE |
| Chemical Name | 1-[4-(3-methoxyphenyl)-1h-imidazol-2-yl]ethan-1-amine dihydrochloride |
| IUPAC Name | 1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride |
| InChI | InChI=1S/C12H15N3O.2ClH/c1-8(13)12-14-7-11(15-12)9-4-3-5-10(6-9)16-2;;/h3-8H,13H2,1-2H3,(H,14,15);2*1H |
| InChI Key | JZCAVEXNQIKMID-UHFFFAOYSA-N |
| MDL Number | MFCD11857853 |
| Molecular Formula | C12H17Cl2N3O |
| Molecular Weight | 290.1889 |
| SMILES | CC(C1=NC(C2=CC=CC(OC)=C2)=CN1)N.[H]Cl.[H]Cl |
| Synonyms | 1-[4-(3-methoxyphenyl)-1H-imidazol-2-yl]ethan-1-amine dihydrochloride,
1173036-46-8,
AC1Q3AKH,
CTK7A9079,
CTK8F3073,
MCULE-1577406482,
NE52773,
EN300-41861,
Z1318264337,
|
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.188g/mol |
| Monoisotopic Mass | 289.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number