The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4′-(Imidazol-1-yl)acetophenone - 96%, high purity , CAS No.10041-06-2
Basic Description
Synonyms
1-(4-(1H-Imidazol-1-yl)phenyl)ethanone | 10A-004 | Ambroxol theophyllinacetate | 4'-(imidazol-1-yl) acetophenone | EINECS 233-123-5 | IMIDAZOLACETOPHENONE | 1-(4-(1H-imidazol-1-yl)phenyl)ethan-1-one | SCHEMBL611481 | US9144538, 4'-(Imidazol-1yl) acetophen
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylimidazoles Acetophenones Benzoyl derivatives Aryl alkyl ketones N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylimidazole - Acetophenone - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488186083
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186083
IUPAC Name
1-(4-imidazol-1-ylphenyl)ethanone
INCHI
InChI=1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3
InChIKey
GAIQQJIMVVUTQN-UHFFFAOYSA-N
Smiles
CC(=O)C1=CC=C(C=C1)N2C=CN=C2
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)N2C=CN=C2
WGK Germany
3
NSC Number
C11H10N2O
Molecular Weight
186.21
Reaxy-Rn
608955
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608955&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
108-110℃(lit.)
Molecular Weight
186.210 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
186.079 Da
Monoisotopic Mass
186.079 Da
Topological Polar Surface Area
34.900 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
209.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.