| CAS Number | 1609407-43-3 |
| Catalog Number | AG00J3VG(AGN-PC-0WRAZR) |
| Chemical Name | 2-[4-(1-piperidinyl)butoxy]benzaldehyde hydrochloride |
| IUPAC Name | 2-(4-piperidin-1-ylbutoxy)benzaldehyde;hydrochloride |
| InChI | InChI=1S/C16H23NO2.ClH/c18-14-15-8-2-3-9-16(15)19-13-7-6-12-17-10-4-1-5-11-17;/h2-3,8-9,14H,1,4-7,10-13H2;1H |
| InChI Key | APEJQSMYESXNBL-UHFFFAOYSA-N |
| MDL Number | MFCD13186605 |
| Molecular Formula | C16H24ClNO2 |
| Molecular Weight | 297.8203 |
| SMILES | N1(CCCCC1)CCCCOC1=CC=CC=C1C=O.Cl |
| Synonyms | 2-[4-(1-Piperidinyl)butoxy]benzaldehyde hydrochloride,
1609407-43-3,
ZX-CM017470,
MFCD13186605,
82625-42-1,
|
| Complexity | 251 |
| 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 | 7 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number