| CAS Number | 1349718-34-8 |
| Catalog Number | AG00J448(AGN-PC-0WB7VG) |
| Chemical Name | 4-(2-(3,5-Dimethylpiperidin-1-yl)ethoxy)benzaldehyde hydrochloride |
| IUPAC Name | 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzaldehyde;hydrochloride |
| InChI | InChI=1S/C16H23NO2.ClH/c1-13-9-14(2)11-17(10-13)7-8-19-16-5-3-15(12-18)4-6-16;/h3-6,12-14H,7-11H2,1-2H3;1H |
| InChI Key | YWWHVWXZWLHADF-UHFFFAOYSA-N |
| MDL Number | MFCD13186641 |
| Molecular Formula | C16H24ClNO2 |
| Molecular Weight | 297.8203 |
| SMILES | N1(CCOC2C=CC(=CC=2)C=O)CC(C)CC(C)C1.Cl |
| Synonyms | 1349718-34-8,
4-[2-(3,5-dimethyl-1-piperidinyl)ethoxy]benzaldehyde hydrochloride,
4-(2-(3,5-Dimethylpiperidin-1-yl)ethoxy)benzaldehyde hydrochloride,
4-[2-(3,5-Dimethyl-1-piperidinyl)ethoxy]-benzaldehyde hydrochloride,
ZX-CM018389,
MFCD13186641,
AKOS027386359,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.823g/mol |
| Monoisotopic Mass | 297.15g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number