| CAS Number | 1423035-04-4 |
| Catalog Number | AG01A3FQ |
| Chemical Name | 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid dihydrochloride |
| IUPAC Name | 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C11H15N3O2.2ClH/c1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;;/h2-4H,5-8H2,1H3,(H,15,16);2*1H |
| InChI Key | NSKHXCVTFKMCJO-UHFFFAOYSA-N |
| MDL Number | MFCD22741269 |
| Molecular Formula | C11H17Cl2N3O2 |
| Molecular Weight | 294.1776 |
| SMILES | Cl.Cl.CN1CCN(C2=NC(C(O)=O)=CC=C2)CC1 |
| Synonyms | 6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid dihydrochloride,
1423035-04-4,
MCULE-2746803311,
NE44197,
Z1762658233,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.176g/mol |
| Monoisotopic Mass | 293.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number