| CAS Number | 1426291-34-0 |
| Catalog Number | AG01ARYP |
| Chemical Name | [4-(4-methylphenyl)-1H-imidazol-2-yl]methanamine dihydrochloride |
| IUPAC Name | [5-(4-methylphenyl)-1H-imidazol-2-yl]methanamine;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-8-2-4-9(5-3-8)10-7-13-11(6-12)14-10;;/h2-5,7H,6,12H2,1H3,(H,13,14);2*1H |
| InChI Key | STIPBPSUMQLRBR-UHFFFAOYSA-N |
| MDL Number | MFCD08704480 |
| Molecular Formula | C11H15Cl2N3 |
| Molecular Weight | 260.1629 |
| SMILES | Cl.Cl.CC1=CC=C(C2N=C(CN)NC=2)C=C1 |
| Synonyms | 1426291-34-0,
{[4-(4-methylphenyl)-1H-imidazol-2-yl]methyl}amine dihydrochloride,
AKOS026746222,
F2147-0986,
(4-(p-tolyl)-1H-imidazol-2-yl)methanamine dihydrochloride,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.162g/mol |
| Monoisotopic Mass | 259.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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