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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(1H-Imidazol-1-yl)-3-phenoxypropan-2-yl 4-methoxybenzoate , CAS No.H668735
Synonyms
1-(1H-Imidazol-1-yl)-3-phenoxypropan-2-yl 4-methoxybenzoate | SMR000054392 | BAS 02077837 | ChemDiv2_000908 | Oprea1_261016 | Oprea1_742804 | MLS000104457 | MLS002539561 | REGID_for_CID_2827372 | HMS1371J06 | HMS2279I19 | BDBM50345645 | STL308349 | AKOS00
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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
1-(1H-Imidazol-1-yl)-3-phenoxypropan-2-yl 4-methoxybenzoate | SMR000054392 | BAS 02077837 | ChemDiv2_000908 | Oprea1_261016 | Oprea1_742804 | MLS000104457 | MLS002539561 | REGID_for_CID_2827372 | HMS1371J06 | HMS2279I19 | BDBM50345645 | STL308349 | AKOS00
Product Properties Names and Identifiers Canonical Smiles COC1=CC=C(C=C1)C(=O)OC(CN2C=CN=C2)COC3=CC=CC=C3 IUPAC Name (1-imidazol-1-yl-3-phenoxypropan-2-yl) 4-methoxybenzoate InChIKey QQRKJVIRHXDXHB-UHFFFAOYSA-N INCHI 1S/C20H20N2O4/c1-24-17-9-7-16(8-10-17)20(23)26-19(13-22-12-11-21-15-22)14-25-18-5-3-2-4-6-18/h2-12,15,19H,13-14H2,1H3 Isomeric SMILES COC1=CC=C(C=C1)C(=O)OC(CN2C=CN=C2)COC3=CC=CC=C3 Molecular Weight 352.4 Reaxy-Rn 21596282 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21596282&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Methoxybenzoic acids and derivatives Direct Parent P-methoxybenzoic acids and derivatives Alternative Parents Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents P-methoxybenzoic acid or derivatives - Benzoate ester - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy 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 352.400 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 9 Exact Mass 352.142 Da Monoisotopic Mass 352.142 Da Topological Polar Surface Area 62.600 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 420.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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