| CAS Number | 1803605-01-7 |
| Catalog Number | AG01B9HR |
| Chemical Name | [2-(1H-imidazol-1-yl)ethyl][(1-methyl-1H-pyrazol-4-yl)methyl]amine trihydrochloride |
| IUPAC Name | 2-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;trihydrochloride |
| InChI | InChI=1S/C10H15N5.3ClH/c1-14-8-10(7-13-14)6-11-2-4-15-5-3-12-9-15;;;/h3,5,7-9,11H,2,4,6H2,1H3;3*1H |
| InChI Key | JNHABFBQVZPLQC-UHFFFAOYSA-N |
| MDL Number | MFCD28383871 |
| Molecular Formula | C10H18Cl3N5 |
| Molecular Weight | 314.6424 |
| SMILES | Cl.Cl.Cl.CN1N=CC(CNCCN2C=NC=C2)=C1 |
| Synonyms | [2-(1H-imidazol-1-yl)ethyl][(1-methyl-1H-pyrazol-4-yl)methyl]amine trihydrochloride,
1803605-01-7,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.639g/mol |
| Monoisotopic Mass | 313.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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