| CAS Number | 915923-54-5 |
| Catalog Number | AG00GTSQ(AGN-PC-0WB557) |
| Chemical Name | 2-[2-(4-Methyl-1-piperidinyl)-2-oxoethoxy]benzaldehyde |
| IUPAC Name | 2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde |
| InChI | InChI=1S/C15H19NO3/c1-12-6-8-16(9-7-12)15(18)11-19-14-5-3-2-4-13(14)10-17/h2-5,10,12H,6-9,11H2,1H3 |
| InChI Key | JHAFTECWLPMWIQ-UHFFFAOYSA-N |
| MDL Number | MFCD08691977 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | N1(CCC(CC1)C)C(=O)COC1=CC=CC=C1C=O |
| Synonyms | 915923-54-5,
2-[2-(4-METHYL-1-PIPERIDINYL)-2-OXOETHOXY]BENZALDEHYDE,
CHEMBRDG-BB 9071747,
2-(2-(4-Methylpiperidin-1-yl)-2-oxoethoxy)benzaldehyde,
2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzaldehyde,
CTK5H0100,
DTXSID80589722,
SP048,
ZINC8729205,
MFCD08691977,
AKOS000100709,
AJ-58762,
Y-4613,
2-[2-(4-Methyl-1-piperidinyl)-2-oxoethoxy]-benzaldehyde,
CHEMBRDG-BB9071747,
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| Complexity | 311 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number