| CAS Number | 2044744-70-7 |
| Catalog Number | AG01BV6R |
| Chemical Name | 1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]Hexane dihydrochloride |
| IUPAC Name | 1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane;dihydrochloride |
| InChI | InChI=1S/C8H11N3.2ClH/c1-2-10-7(9-1)8-3-6(4-8)5-11-8;;/h1-2,6,11H,3-5H2,(H,9,10);2*1H |
| InChI Key | ZNDULEHRFISGMB-UHFFFAOYSA-N |
| MDL Number | MFCD30476289 |
| Molecular Formula | C8H13Cl2N3 |
| Molecular Weight | 222.1149 |
| SMILES | Cl.Cl.C1[C@]2(C3NC=CN=3)NC[C@@H]1C2 |
| Synonyms | 1-(1H-imidazol-2-yl)-2-azabicyclo[2.1.1]hexane dihydrochloride,
2044744-70-7,
AKOS033976298,
Z2678251583,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.113g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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