| CAS Number | 1185301-82-9 |
| Catalog Number | AG00J22H |
| Chemical Name | 3-Pyridinecarbonitrile, 2-(4-amino-1-piperidinyl)-, hydrochloride (1:2) |
| IUPAC Name | 2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;dihydrochloride |
| InChI | InChI=1S/C11H14N4.2ClH/c12-8-9-2-1-5-14-11(9)15-6-3-10(13)4-7-15;;/h1-2,5,10H,3-4,6-7,13H2;2*1H |
| InChI Key | RCLXJRPPISPFAA-UHFFFAOYSA-N |
| MDL Number | MFCD12026965 |
| Molecular Formula | C11H15ClN4 |
| Molecular Weight | 238.7166 |
| SMILES | N#Cc1cccnc1N1CCC(CC1)N.Cl.Cl |
| Synonyms | 2-(4-aminopiperidin-1-yl)nicotinonitrile dihydrochloride,
1185301-82-9,
2-(4-Amino-1-piperidinyl)nicotinonitrile dihydrochloride,
CTK7C8904,
BB_SC-08940,
ZX-CM007704,
MFCD12026965,
AKOS015845672,
MCULE-7014359823,
TR-058429,
2-(4-Aminopiperidin-1-yl)nicotinonitriledihydrochloride,
2-(4-Aminopiperidin-1-yl)nicotinonitrile di hydrochloride,
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile dihydrochloride,
412355-86-3,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.177g/mol |
| Monoisotopic Mass | 274.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number