| CAS Number | 1368804-93-6 |
| Catalog Number | AG01DHAX |
| Chemical Name | 2-(3,5-Dimethylphenyl)pyridin-3-amine |
| IUPAC Name | 2-(3,5-dimethylphenyl)pyridin-3-amine |
| InChI | InChI=1S/C13H14N2/c1-9-6-10(2)8-11(7-9)13-12(14)4-3-5-15-13/h3-8H,14H2,1-2H3 |
| InChI Key | CQTKHLHHKRNZHJ-UHFFFAOYSA-N |
| MDL Number | MFCD21882287 |
| Molecular Formula | C13H14N2 |
| Molecular Weight | 198.2637 |
| SMILES | Cc1cc(C)cc(c1)-c1ncccc1N |
| Synonyms | 2-(3,5-Dimethylphenyl)pyridin-3-amine,
1368804-93-6,
AKOS019066638,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.269g/mol |
| Monoisotopic Mass | 198.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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