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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(1-Adamantyl)-3-benzylurea , CAS No.120615-86-3
Synonyms
1-(1-adamantyl)-3-benzylurea | 3-(adamantan-1-yl)-1-benzylurea | 1-((3s,5s,7s)-adamantan-1-yl)-3-benzylurea | Oprea1_746404 | MLS000767398 | DTXSID801330694 | HMS2787I03 | BDBM50445101 | STK015054 | AKOS001018733 | SMR000429729 | 1-(ADAMANTAN-1-YL)-3-BENZ
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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-(1-adamantyl)-3-benzylurea | 3-(adamantan-1-yl)-1-benzylurea | 1-((3s, 5s, 7s)-adamantan-1-yl)-3-benzylurea | Oprea1_746404 | MLS000767398 | DTXSID801330694 | HMS2787I03 | BDBM50445101 | STK015054 | AKOS001018733 | SMR000429729 | 1-(ADAMANTAN-1-YL)-3-BENZ
Product Properties Names and Identifiers Canonical Smiles C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=CC=C4 IUPAC Name 1-(1-adamantyl)-3-benzylurea InChIKey MPIRFYYPSNNZEV-UHFFFAOYSA-N INCHI 1S/C18H24N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20,21) Isomeric SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CC=CC=C4 Molecular Weight 284.4 Reaxy-Rn 2141959 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2141959&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 Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Ureas Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents Monocyclic benzene moiety - Urea - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 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 284.400 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 3 Exact Mass 284.189 Da Monoisotopic Mass 284.189 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 359.000 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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