| CAS Number | 1909308-95-7 |
| Catalog Number | AG01B7WO |
| Chemical Name | 2-chloro-5-methyl-N-[(pyridin-3-yl)methyl]aniline hydrochloride |
| IUPAC Name | 2-chloro-5-methyl-N-(pyridin-3-ylmethyl)aniline;hydrochloride |
| InChI | InChI=1S/C13H13ClN2.ClH/c1-10-4-5-12(14)13(7-10)16-9-11-3-2-6-15-8-11;/h2-8,16H,9H2,1H3;1H |
| InChI Key | WWVQICNOBQRWSW-UHFFFAOYSA-N |
| MDL Number | MFCD29047158 |
| Molecular Formula | C13H14Cl2N2 |
| Molecular Weight | 269.1697 |
| SMILES | Cl.CC1=CC(NCC2=CN=CC=C2)=C(Cl)C=C1 |
| Synonyms | 2-chloro-5-methyl-N-(pyridin-3-ylmethyl)aniline hydrochloride,
1909308-95-7,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.169g/mol |
| Monoisotopic Mass | 268.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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