| CAS Number | 1017326-43-0 |
| Catalog Number | AG018MVC(AGN-PC-04FIFO) |
| Chemical Name | 1-(6-Methylpyridazin-3-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(6-methylpyridazin-3-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H15N3O2/c1-8-2-3-10(13-12-8)14-6-4-9(5-7-14)11(15)16/h2-3,9H,4-7H2,1H3,(H,15,16) |
| InChI Key | LLSIANFQCNHJPF-UHFFFAOYSA-N |
| MDL Number | MFCD09881913 |
| Molecular Formula | C11H15N3O2 |
| Molecular Weight | 221.2557 |
| SMILES | CC1=NN=C(N2CCC(C(O)=O)CC2)C=C1 |
| Synonyms | 1-(6-methylpyridazin-3-yl)piperidine-4-carboxylic acid,
1017326-43-0,
SCHEMBL1439618,
LLSIANFQCNHJPF-UHFFFAOYSA-N,
ZINC11567993,
AKOS015957490,
MCULE-8945329384,
VU0494828-1,
L-4932,
4-Piperidinecarboxylicacid,1-(6-methyl-3-pyridazinyl)-,
F2158-1447,
1-(6-methyl-pyridazin-3-yl)-piperidine-4-carboxylic acid,
4-Piperidinecarboxylic acid, 1-(6-methyl-3-pyridazinyl)-,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.26g/mol |
| Monoisotopic Mass | 221.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number