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· · COA & SDS available for every product · Same-day shipping on in-stock items (6,7-Dimethoxy-1-isoquinolinyl)(4,5-dimethoxy-2-nitrophenyl)methanone , CAS No.20323-72-2
Synonyms
MLS000672395 | SMR000296000 | (6,7-dimethoxy-1-isoquinolinyl)(4,5-dimethoxy-2-nitrophenyl)methanone | (6,7-dimethoxyisoquinolin-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone | SR-01000532011 | NSC146066 | Oprea1_264188 | cid_286873 | BDBM70961 | DTXSID20942
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Synonyms
MLS000672395 | SMR000296000 | (6, 7-dimethoxy-1-isoquinolinyl)(4, 5-dimethoxy-2-nitrophenyl)methanone | (6, 7-dimethoxyisoquinolin-1-yl)(4, 5-dimethoxy-2-nitrophenyl)methanone | SR-01000532011 | NSC146066 | Oprea1_264188 | cid_286873 | BDBM70961 | DTXSID20942
Product Properties Names and Identifiers Canonical Smiles COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC IUPAC Name (6,7-dimethoxyisoquinolin-1-yl)-(4,5-dimethoxy-2-nitrophenyl)methanone InChIKey YQHPOSDABMOWAK-UHFFFAOYSA-N INCHI 1S/C20H18N2O7/c1-26-15-7-11-5-6-21-19(12(11)8-16(15)27-2)20(23)13-9-17(28-3)18(29-4)10-14(13)22(24)25/h5-10H,1-4H3 Isomeric SMILES COC1=C(C=C2C(=C1)C=CN=C2C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC PubChem CID 286873 Molecular Weight 398.4
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 Organoheterocyclic compounds Class Isoquinolines and derivatives Subclass Benzylisoquinolines Intermediate Tree Nodes Not available Direct Parent Benzylisoquinolines Alternative Parents Aryl-phenylketones Nitrophenyl ethers Dimethoxybenzenes Pyridinecarboxylic acids and derivatives Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Nitroaromatic compounds Alkyl aryl ethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzylisoquinoline - Aryl-phenylketone - Nitrophenyl ether - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Pyridine carboxylic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Aryl ketone - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Benzoyl - Alkyl aryl ether - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 398.400 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 6 Exact Mass 398.111 Da Monoisotopic Mass 398.111 Da Topological Polar Surface Area 113.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 584.000 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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