| CAS Number | 1909348-01-1 |
| Catalog Number | AG01C22X |
| Chemical Name | 4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde dihydrochloride |
| IUPAC Name | 4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde;dihydrochloride |
| InChI | InChI=1S/C13H18N2O2.2ClH/c1-14-4-6-15(7-5-14)9-12-8-11(10-16)2-3-13(12)17;;/h2-3,8,10,17H,4-7,9H2,1H3;2*1H |
| InChI Key | YCEAQRFHCJGKGQ-UHFFFAOYSA-N |
| MDL Number | MFCD29047551 |
| Molecular Formula | C13H20Cl2N2O2 |
| Molecular Weight | 307.2161 |
| SMILES | Cl.Cl.CN1CCN(CC2=C(O)C=CC(C=O)=C2)CC1 |
| Synonyms | 4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde dihydrochloride,
1909348-01-1,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.215g/mol |
| Monoisotopic Mass | 306.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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