| CAS Number | 1803598-71-1 |
| Catalog Number | AG01B7J3 |
| Chemical Name | [2-(Pyridin-2-yl)ethyl](pyridin-4-ylmethyl)amine hydrochloride |
| IUPAC Name | 2-pyridin-2-yl-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C13H15N3.ClH/c1-2-7-16-13(3-1)6-10-15-11-12-4-8-14-9-5-12;/h1-5,7-9,15H,6,10-11H2;1H |
| InChI Key | LZSBXAJGRHYISD-UHFFFAOYSA-N |
| MDL Number | MFCD28145413 |
| Molecular Formula | C13H16ClN3 |
| Molecular Weight | 249.7392 |
| SMILES | Cl.C(NCC1=CC=NC=C1)CC1=NC=CC=C1 |
| Synonyms | 1803598-71-1,
[2-(pyridin-2-yl)ethyl](pyridin-4-ylmethyl)amine hydrochloride,
[2-(Pyridin-2-yl)ethyl][(pyridin-4-yl)methyl]amine hydrochloride,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.742g/mol |
| Monoisotopic Mass | 249.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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