| CAS Number | 1239727-91-3 |
| Catalog Number | AG01AQ8A(AGN-PC-0WCOE3) |
| Chemical Name | 2-[4-(aminomethyl)piperidin-1-yl]pyridine-3-carbonitrile |
| IUPAC Name | 2-[4-(aminomethyl)piperidin-1-yl]pyridine-3-carbonitrile |
| InChI | InChI=1S/C12H16N4/c13-8-10-3-6-16(7-4-10)12-11(9-14)2-1-5-15-12/h1-2,5,10H,3-4,6-8,13H2 |
| InChI Key | YBQRQUYZZBTVAU-UHFFFAOYSA-N |
| MDL Number | MFCD16110371 |
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.2822 |
| SMILES | NCC1CCN(C2=C(C#N)C=CC=N2)CC1 |
| Synonyms | 2-[4-(aminomethyl)piperidin-1-yl]nicotinonitrile,
1239727-91-3,
ZINC44514835,
AKOS011059776,
BC4334094,
BB 0248272,
EN300-236525,
L-4558,
F2189-0668,
4-Aminomethyl-3,4,5,6-tetrahydro-2H-[1,2']bi pyridinyl-3'-carbonitrile,
2-[4-(aminomethyl)piperidin-1-yl]pyridine-3-carbonitrile,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.288g/mol |
| Monoisotopic Mass | 216.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number