| CAS Number | 1446509-65-4 |
| Catalog Number | AG00HX72(AGN-PC-0WR2UV) |
| Chemical Name | 2-(4-Aminopyridin-2-yl)-2-methylpropanenitrile |
| IUPAC Name | 2-(4-aminopyridin-2-yl)-2-methylpropanenitrile |
| InChI | InChI=1S/C9H11N3/c1-9(2,6-10)8-5-7(11)3-4-12-8/h3-5H,1-2H3,(H2,11,12) |
| InChI Key | OAJWZRKXQJKDNX-UHFFFAOYSA-N |
| MDL Number | MFCD28405261 |
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.2037 |
| SMILES | CC(C)(C1=NC=CC(N)=C1)C#N |
| Synonyms | 2-(4-Aminopyridin-2-yl)-2-methylpropanenitrile,
1446509-65-4,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.208g/mol |
| Monoisotopic Mass | 161.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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