| CAS Number | 1052414-95-5 |
| Catalog Number | AG00J3W7(AGN-PC-0WB7XQ) |
| Chemical Name | 2-(2-(3-Methylpiperidin-1-yl)ethoxy)benzaldehyde hydrochloride |
| IUPAC Name | 2-[2-(3-methylpiperidin-1-yl)ethoxy]benzaldehyde;hydrochloride |
| InChI | InChI=1S/C15H21NO2.ClH/c1-13-5-4-8-16(11-13)9-10-18-15-7-3-2-6-14(15)12-17;/h2-3,6-7,12-13H,4-5,8-11H2,1H3;1H |
| InChI Key | XUWXGFMZJKBDGO-UHFFFAOYSA-N |
| MDL Number | MFCD07362412 |
| Molecular Formula | C15H22ClNO2 |
| Molecular Weight | 283.7937 |
| SMILES | Cl.CC1CN(CCC1)CCOC1=C(C=O)C=CC=C1 |
| Synonyms | 1052414-95-5,
2-(2-(3-Methylpiperidin-1-yl)ethoxy)benzaldehyde hydrochloride,
2-[2-(3-Methyl-1-piperidinyl)ethoxy]benzaldehyde hydrochloride,
2-[2-(3-methylpiperidin-1-yl)ethoxy]benzaldehyde hydrochloride,
AC1MH19O,
ZX-CM017647,
MFCD07362412,
AKOS027426022,
MCULE-6949086467,
CID2994799,
2-[2-(3-methyl-1-piperidyl)ethoxy]benzaldehyde Hydrochloride,
|
| Complexity | 257 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number