| CAS Number | 1052419-83-6 |
| Catalog Number | AG00J3WL |
| Chemical Name | 4-[2-(3-Methyl-1-piperidinyl)ethoxy]benzaldehyde hydrochloride |
| IUPAC Name | 4-[2-(3-methylpiperidin-1-yl)ethoxy]benzaldehyde;hydrochloride |
| InChI | InChI=1S/C15H21NO2.ClH/c1-13-3-2-8-16(11-13)9-10-18-15-6-4-14(12-17)5-7-15;/h4-7,12-13H,2-3,8-11H2,1H3;1H |
| InChI Key | QMKWKSPXXQSMLJ-UHFFFAOYSA-N |
| MDL Number | MFCD07362033 |
| Molecular Formula | C15H22ClNO2 |
| Molecular Weight | 283.7937 |
| SMILES | N1(CCCC(C)C1)CCOC1C=CC(=CC=1)C=O.Cl |
| Synonyms | 1052419-83-6,
4-[2-(3-methyl-1-piperidinyl)ethoxy]benzaldehyde hydrochloride,
4-(2-(3-Methylpiperidin-1-yl)ethoxy)benzaldehyde hydrochloride,
4-[2-(3-methylpiperidin-1-yl)ethoxy]benzaldehyde hydrochloride,
AC1MGZDS,
MFCD07362033,
AKOS030631367,
MCULE-2064158441,
CID2993978,
4-[2-(3-methyl-1-piperidyl)ethoxy]benzaldehyde Hydrochloride,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.796g/mol |
| Monoisotopic Mass | 283.134g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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