| CAS Number | 1158269-66-9 |
| Catalog Number | AG01A0LD |
| Chemical Name | 1-methyl-N-[(pyridin-3-yl)methyl]piperidin-4-amine; oxalic acid |
| IUPAC Name | 1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine;oxalic acid |
| InChI | InChI=1S/C12H19N3.C2H2O4/c1-15-7-4-12(5-8-15)14-10-11-3-2-6-13-9-11;3-1(4)2(5)6/h2-3,6,9,12,14H,4-5,7-8,10H2,1H3;(H,3,4)(H,5,6) |
| InChI Key | CXZDMNYRNNICFO-UHFFFAOYSA-N |
| MDL Number | MFCD07607342 |
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.3342 |
| SMILES | CN1CCC(NCC2=CN=CC=C2)CC1.OC(C(O)=O)=O |
| Synonyms | 1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine; oxalic acid,
1158269-66-9,
AKOS003378869,
MCULE-9052734930,
NE31338,
1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine, oxalic acid,
1-methyl-N-(pyridin-3-ylmethyl)piperidin-4-amine,oxalic acid,
1-Methyl-N-[(pyridin-3-yl)methyl]piperidin-4-amine; oxalic acid,
626217-79-6,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.339g/mol |
| Monoisotopic Mass | 295.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number