| CAS Number | 1609409-36-0 |
| Catalog Number | AG00J3ZR(AGN-PC-0WRB0D) |
| Chemical Name | 4-[3-(1H-imidazol-1-yl)propoxy]benzaldehyde hydrochloride |
| IUPAC Name | 4-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride |
| InChI | InChI=1S/C13H14N2O2.ClH/c16-10-12-2-4-13(5-3-12)17-9-1-7-15-8-6-14-11-15;/h2-6,8,10-11H,1,7,9H2;1H |
| InChI Key | ZYDLWBXWJNIKPS-UHFFFAOYSA-N |
| MDL Number | MFCD13186626 |
| Molecular Formula | C13H15ClN2O2 |
| Molecular Weight | 266.7234 |
| SMILES | N1C=CN(CCCOC2=CC=C(C=C2)C=O)C=1.Cl |
| Synonyms | 4-[3-(1H-Imidazol-1-yl)propoxy]benzaldehyde hydrochloride,
1609409-36-0,
ZX-CM018032,
MFCD13186626,
568594-04-7,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.725g/mol |
| Monoisotopic Mass | 266.082g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number