| CAS Number | 1424939-17-2 |
| Catalog Number | AG00J3GF(AGN-PC-0WB7I0) |
| Chemical Name | 4-(4-methyl-1-piperazinyl)benzaldehyde hydrochloride |
| IUPAC Name | 4-(4-methylpiperazin-1-yl)benzaldehyde;hydrochloride |
| InChI | InChI=1S/C12H16N2O.ClH/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12;/h2-5,10H,6-9H2,1H3;1H |
| InChI Key | JWSWGIOYJFNOEL-UHFFFAOYSA-N |
| MDL Number | MFCD07781120 |
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.7292 |
| SMILES | O=Cc1ccc(cc1)N1CCN(CC1)C.Cl |
| Synonyms | 4-(4-methyl-1-piperazinyl)benzaldehyde hydrochloride,
1424939-17-2,
ZX-CM014836,
MFCD07781120,
AKOS016025257,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.731g/mol |
| Monoisotopic Mass | 240.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number