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· · COA & SDS available for every product · Same-day shipping on in-stock items N-Acetyl-4-benzoquinone Imine - Moligand™, ≥90% , Activator of TRPA1, CAS No.50700-49-7, Activator of TRPA1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥90% Synonyms
CCRIS 5789 | MS-22843 | N-(4-Oxo-2,5-cyclohexadien-1-ylidene)acetamide | 1,4-BENZODIAZEPIN-3-ONE | BRN 2435621 | GTPL6299 | Acetimidoquinone | N-(4-Oxo-2,5-cyclohexadienylidene)acetamide | N-acetyl-p-benzo-quinoneimine | N-(4-oxocyclohexa-2,5-dienylidene)
Storage
Protected from light,Argon charged,Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Why this grade Moligand™, ≥90% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Argon charged,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Polymer-bound reagent for α-substituted amino acid and indole synthesis.1,,,2
Specifications Synonyms
CCRIS 5789 | MS-22843 | N-(4-Oxo-2, 5-cyclohexadien-1-ylidene)acetamide | 1, 4-BENZODIAZEPIN-3-ONE | BRN 2435621 | GTPL6299 | Acetimidoquinone | N-(4-Oxo-2, 5-cyclohexadienylidene)acetamide | N-acetyl-p-benzo-quinoneimine | N-(4-oxocyclohexa-2, 5-dienylidene)
Specifications & Purity
Moligand™, ≥90%
Storage
Protected from light, Argon charged, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Activator of TRPA1
Names and Identifiers Canonical Smiles CC(=O)N=C1C=CC(=O)C=C1 IUPAC Name N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide InChIKey URNSECGXFRDEDC-UHFFFAOYSA-N INCHI 1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3 Isomeric SMILES CC(=O)N=C1C=CC(=O)C=C1 Molecular Weight 149.147 Reaxy-Rn 2435621 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2435621&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic nitrogen compounds Class Organonitrogen compounds Subclass Imines Intermediate Tree Nodes Ketimines Direct Parent Secondary ketimines Alternative Parents Azomethines N-acylimines Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Secondary ketimine - Azomethine - Cyclic ketone - N-acylimine - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as secondary ketimines. These are ketimines where the nitrogen of the ketimine group is linked to an alkyl or aryl group. External Descriptors quinone imine - ketoimine 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Air & Moisture & Light sensitive Molecular Weight 149.150 g/mol XLogP3 0.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 149.048 Da Monoisotopic Mass 149.048 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 266.000 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
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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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