| CAS Number | 915923-84-1 |
| Catalog Number | AG006SVT(AGN-PC-0WB4UL) |
| Chemical Name | 4-(2-(4-Methylpiperidin-1-yl)-2-oxoethoxy)benzaldehyde |
| IUPAC Name | 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde |
| InChI | InChI=1S/C15H19NO3/c1-12-6-8-16(9-7-12)15(18)11-19-14-4-2-13(10-17)3-5-14/h2-5,10,12H,6-9,11H2,1H3 |
| InChI Key | DNTDYMHMPZKSMA-UHFFFAOYSA-N |
| MDL Number | MFCD08575660 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | N1(CCC(CC1)C)C(=O)COC1C=CC(=CC=1)C=O |
| Synonyms | 915923-84-1,
4-[2-(4-METHYL-1-PIPERIDINYL)-2-OXOETHOXY]BENZALDEHYDE,
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde,
4-(2-(4-Methylpiperidin-1-yl)-2-oxoethoxy)benzaldehyde,
CTK5H0123,
DTXSID50586223,
CHEMBRDG-BB 7856842,
ZINC9295448,
BBL031050,
MFCD08575660,
STL381219,
AKOS000104706,
MCULE-9072377289,
AJ-59497,
BB 0217649,
Y-3983,
4-[2-(4-Methyl-1-piperidinyl)-2-oxoethoxy] benzaldehyde,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number