| CAS Number | 953745-90-9 |
| Catalog Number | AG01AAST |
| Chemical Name | 1-[3-(aminomethyl)pyridin-2-yl]piperidine-4-carboxamide |
| IUPAC Name | 1-[3-(aminomethyl)pyridin-2-yl]piperidine-4-carboxamide |
| InChI | InChI=1S/C12H18N4O/c13-8-10-2-1-5-15-12(10)16-6-3-9(4-7-16)11(14)17/h1-2,5,9H,3-4,6-8,13H2,(H2,14,17) |
| InChI Key | FLLKLLDZTJMJPX-UHFFFAOYSA-N |
| MDL Number | MFCD09732272 |
| Molecular Formula | C12H18N4O |
| Molecular Weight | 234.2975 |
| SMILES | O=C(C1CCN(C2=NC=CC=C2CN)CC1)N |
| Synonyms | 1-[3-(aminomethyl)pyridin-2-yl]piperidine-4-carboxamide,
953745-90-9,
EN300-69467,
AC1Q53SK,
CTK7E6674,
ZINC22174686,
AKOS000140972,
MCULE-4415225304,
NE22929,
SEL10024033,
Z1222331424,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.303g/mol |
| Monoisotopic Mass | 234.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number