| CAS Number | 1185294-13-6 |
| Catalog Number | AG00J1SW |
| Chemical Name | Methanone, (2-chloro-4-pyridinyl)(4-methyl-1-piperazinyl)-, hydrochloride (1:1) |
| IUPAC Name | (2-chloropyridin-4-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride |
| InChI | InChI=1S/C11H14ClN3O.ClH/c1-14-4-6-15(7-5-14)11(16)9-2-3-13-10(12)8-9;/h2-3,8H,4-7H2,1H3;1H |
| InChI Key | AKGYQYZIQCVQPE-UHFFFAOYSA-N |
| MDL Number | MFCD09864559 |
| Molecular Formula | C11H15Cl2N3O |
| Molecular Weight | 276.1623 |
| SMILES | CN1CCN(CC1)C(=O)c1ccnc(c1)Cl.Cl |
| Synonyms | 1-(2-chloroisonicotinoyl)-4-methylpiperazine hydrochloride,
612487-28-2,
(2-Chloropyridin-4-yl)(4-methylpiperazin-1-yl)methanone hydrochloride,
1185294-13-6,
CTK6I2875,
ZX-CM006175,
MFCD09864559,
AKOS015846166,
TR-058098,
1-(2-chloropyridine-4-carbonyl)-4-methylpiperazine hydrochloride,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.161g/mol |
| Monoisotopic Mass | 275.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number