| CAS Number | 1269198-98-2 |
| Catalog Number | AG00J183(AGN-PC-0WB6M0) |
| Chemical Name | n-Benzyl-1-(3-methyl-2-pyridinyl)methanamine dihydrochloride |
| IUPAC Name | N-[(3-methylpyridin-2-yl)methyl]-1-phenylmethanamine;dihydrochloride |
| InChI | InChI=1S/C14H16N2.2ClH/c1-12-6-5-9-16-14(12)11-15-10-13-7-3-2-4-8-13;;/h2-9,15H,10-11H2,1H3;2*1H |
| InChI Key | MMKMGKCAWFYQTC-UHFFFAOYSA-N |
| MDL Number | MFCD18483392 |
| Molecular Formula | C14H18Cl2N2 |
| Molecular Weight | 285.2121 |
| SMILES | N1C=CC=C(C)C=1CNCC1=CC=CC=C1.Cl.Cl |
| Synonyms | 1269198-98-2,
n-benzyl-1-(3-methyl-2-pyridinyl)methanamine dihydrochloride,
ZX-CM003425,
MFCD18483392,
AKOS027426315,
MCULE-6326484171,
N-Benzyl-1-(3-methylpyridin-2-yl)methanamine dihydrochloride,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.212g/mol |
| Monoisotopic Mass | 284.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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