| CAS Number | 5176-31-8 |
| Catalog Number | AG01BGPF(AGN-PC-0SB4IL) |
| Chemical Name | 11-Azatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene hydrochloride |
| IUPAC Name | 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;hydrochloride |
| InChI | InChI=1S/C10H11N.ClH/c1-2-4-8-7(3-1)9-5-6-10(8)11-9;/h1-4,9-11H,5-6H2;1H |
| InChI Key | MIGSXHUGDKAJRK-UHFFFAOYSA-N |
| MDL Number | MFCD28125210 |
| Molecular Formula | C10H12ClN |
| Molecular Weight | 181.6620 |
| SMILES | c1ccc2c(c1)C3CCC2N3.Cl |
| Synonyms | 5176-31-8,
11-azatricyclo[6.2.1.0,2,7]undeca-2,4,6-triene hydrochloride,
AKOS026745359,
11-azatricyclo[6.2.1.0(2),]undeca-2,4,6-triene hydrochloride,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.663g/mol |
| Monoisotopic Mass | 181.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number