| CAS Number | 890092-19-0 |
| Catalog Number | AG01AR14(AGN-PC-0WCNDP) |
| Chemical Name | 4-(4-Acetylpiperazin-1-yl)benzaldehyde |
| IUPAC Name | 4-(4-acetylpiperazin-1-yl)benzaldehyde |
| InChI | InChI=1S/C13H16N2O2/c1-11(17)14-6-8-15(9-7-14)13-4-2-12(10-16)3-5-13/h2-5,10H,6-9H2,1H3 |
| InChI Key | DYRIBKWUSUQUNN-UHFFFAOYSA-N |
| MDL Number | MFCD05862988 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | C(C)(=O)N1CCN(CC1)C1=CC=C(C=O)C=C1 |
| Synonyms | 4-(4-acetylpiperazin-1-yl)benzaldehyde,
890092-19-0,
AC1M0LHK,
SCHEMBL377648,
DYRIBKWUSUQUNN-UHFFFAOYSA-N,
ZINC2458002,
AKOS000260587,
MCULE-3684891084,
BB 0218128,
L-3299,
F1929-1816,
ZINC02458002,
CID2052146,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number