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GRADE & PURITY 10mM in DMSO
Synonyms
ethyl 5-acetyl-6-hydroxy-2-imino-1-methyl-1,2-dihydropyridine-3-carboxylate|852388-82-0|ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate|Ethyl 5-acetyl-2-amino-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate|909859-35-4|SMR000068459|MLS0000560
Shipped In
Dry ice packs + Cold packs
Specifications Synonyms
ethyl 5-acetyl-6-hydroxy-2-imino-1-methyl-1, 2-dihydropyridine-3-carboxylate | 852388-82-0 | ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate | Ethyl 5-acetyl-2-amino-1-methyl-6-oxo-1, 6-dihydropyridine-3-carboxylate | 909859-35-4 | SMR000068459 | MLS0000560
Specifications & Purity
10mM in DMSO
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CCOC(=O)C1=C(N(C(=O)C(=C1)C(=O)C)C)N IUPAC Name ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate InChIKey ZMINDHZDQBHQJT-UHFFFAOYSA-N INCHI 1S/C11H14N2O4/c1-4-17-11(16)8-5-7(6(2)14)10(15)13(3)9(8)12/h5H,4,12H2,1-3H3 Isomeric SMILES CCOC(=O)C1=C(N(C(=O)C(=C1)C(=O)C)C)N PubChem CID 2997731 Molecular Weight 238.24
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyridines and derivatives Subclass Pyridinecarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyridinecarboxylic acids Alternative Parents Dihydropyridinecarboxylic acids and derivatives Aryl alkyl ketones Pyridinones Aminopyridines and derivatives Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Aryl ketone - Aryl alkyl ketone - Aminopyridine - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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.
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 238.240 g/mol XLogP3 0.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 238.095 Da Monoisotopic Mass 238.095 Da Topological Polar Surface Area 89.700 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 448.000 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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