| CAS Number | 1052509-37-1 |
| Catalog Number | AG00J3WC(AGN-PC-0WB7XP) |
| Chemical Name | 2-(3-(3-Methylpiperidin-1-yl)propoxy)benzaldehyde hydrochloride |
| IUPAC Name | 2-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride |
| InChI | InChI=1S/C16H23NO2.ClH/c1-14-6-4-9-17(12-14)10-5-11-19-16-8-3-2-7-15(16)13-18;/h2-3,7-8,13-14H,4-6,9-12H2,1H3;1H |
| InChI Key | FWJCNQNTAUMSMI-UHFFFAOYSA-N |
| MDL Number | MFCD07362172 |
| Molecular Formula | C16H24ClNO2 |
| Molecular Weight | 297.8203 |
| SMILES | N1(CCCC(C)C1)CCCOC1C=CC=CC=1C=O.Cl |
| Synonyms | 1052509-37-1,
2-(3-(3-Methylpiperidin-1-yl)propoxy)benzaldehyde hydrochloride,
2-[3-(3-Methyl-1-piperidinyl)propoxy]benzaldehyde hydrochloride,
2-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde hydrochloride,
AC1MH01W,
ZX-CM017642,
MFCD07362172,
AKOS027426024,
MCULE-3221816868,
CID2994269,
2-[3-(3-methyl-1-piperidyl)propoxy]benzaldehyde Hydrochloride,
|
| Complexity | 270 |
| 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 | 6 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number