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· · COA & SDS available for every product · Same-day shipping on in-stock items 3,5-Dimethoxybenzamide - ≥98% , CAS No.17213-58-0
Synonyms
3,5-Dimethoxybenzamide|2-(2-Chloro-phenyl)thiazole-4-carboxylicacidethylester|Benzamide, 3,5-dimethoxy-
Specifications Synonyms
3,5-Dimethoxybenzamide | 2-(2-Chloro-phenyl)thiazole-4-carboxylicacidethylester | Benzamide, 3,5-dimethoxy-
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184728
Canonical Smiles
COC1=CC(=CC(=C1)C(=O)N)OC
IUPAC Name
3,5-dimethoxybenzamide
InChIKey
YTLRWVNYANKXOW-UHFFFAOYSA-N
INCHI
1S/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)
Isomeric SMILES
COC1=CC(=CC(=C1)C(=O)N)OC
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2641361&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Methoxybenzenes Intermediate Tree Nodes Not available Direct Parent Dimethoxybenzenes Alternative Parents Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-dimethoxybenzene - Dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 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(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties x_melt_point_char 147 °C Molecular Weight 181.190 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 181.074 Da Monoisotopic Mass 181.074 Da Topological Polar Surface Area 61.600 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 172.000 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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