| CAS Number | 953904-92-2 |
| Catalog Number | AG01AAJ4 |
| Chemical Name | 1-[3-(aminomethyl)pyridin-2-yl]piperidine-3-carboxamide |
| IUPAC Name | 1-[3-(aminomethyl)pyridin-2-yl]piperidine-3-carboxamide |
| InChI | InChI=1S/C12H18N4O/c13-7-9-3-1-5-15-12(9)16-6-2-4-10(8-16)11(14)17/h1,3,5,10H,2,4,6-8,13H2,(H2,14,17) |
| InChI Key | NNLYTUZKLGZQDR-UHFFFAOYSA-N |
| MDL Number | MFCD09734596 |
| Molecular Formula | C12H18N4O |
| Molecular Weight | 234.2975 |
| SMILES | NCC1=C(N2CC(C(N)=O)CCC2)N=CC=C1 |
| Synonyms | 1-[3-(aminomethyl)pyridin-2-yl]piperidine-3-carboxamide,
953904-92-2,
EN300-68749,
AC1Q53SL,
CTK7E6679,
AKOS000145076,
MCULE-7769643093,
NE47701,
SEL10024677,
Z1222278722,
|
| Complexity | 271 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number