3-[(2-Ethyl-1H-imidazol-1-yl)methyl]-4-methoxybenzaldehyde Hydrochloride - CAS 1052542-54-7
Catalog: |
BB066056 |
Product Name: |
3-[(2-Ethyl-1H-imidazol-1-yl)methyl]-4-methoxybenzaldehyde Hydrochloride |
CAS: |
1052542-54-7 |
Synonyms: |
3-(2-Ethyl-imidazol-1-ylmethyl)-4-methoxy-benzaldehyde; 3-[(2-ethyl-1H-imidazol-1-yl)methyl]-4-methoxybenzaldehyde; 3-[(2-ethylimidazol-1-yl)methyl]-4-methoxybenzaldehyde; 3-(2-Ethyl-imidazol-1-ylmethyl)-4-methoxy-benzaldehyde hydrochloride; 3-((2-Ethyl-1H-imidazol-1-yl)methyl)-4-methoxybenzaldehyde; 3-(2-Ethylimidazol-1-ylmethyl)-4-methoxybenzaldehyde |
IUPAC Name: | 3-[(2-ethylimidazol-1-yl)methyl]-4-methoxybenzaldehyde |
Molecular Weight: | 244.29+(36.46) |
Molecular Formula: | C14H16N2O2·HCl |
Canonical SMILES: | CCC1=NC=CN1CC2=C(C=CC(=C2)C=O)OC |
InChI: | InChI=1S/C14H16N2O2/c1-3-14-15-6-7-16(14)9-12-8-11(10-17)4-5-13(12)18-2/h4-8,10H,3,9H2,1-2H3 |
InChI Key: | AODKAVPABUIILS-UHFFFAOYSA-N |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.121177757 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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