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· · COA & SDS available for every product · Same-day shipping on in-stock items BD-1047 - Moligand™ , Antagonist of sigma non-opioid intracellular receptor 1, CAS No.138356-20-4, Antagonist of sigma non-opioid intracellular receptor 1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
BRD-K36864847-303-01-7 | N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine | N-[2-(3,4-Dichloro-phenyl)-ethyl]-N,N'',N''-trimethyl-ethane-1,2-diamine | n-[2-(3,4-dichlorophenyl)ethyl]-n,n',n'-trimethylethane-1,2-diamine | N-(2-(3,4-Dichl
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Why this grade Moligand™ Moligand™ 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
BRD-K36864847-303-01-7 | N'-[2-(3, 4-dichlorophenyl)ethyl]-N, N, N'-trimethylethane-1, 2-diamine | N-[2-(3, 4-Dichloro-phenyl)-ethyl]-N, N'', N''-trimethyl-ethane-1, 2-diamine | n-[2-(3, 4-dichlorophenyl)ethyl]-n, n', n'-trimethylethane-1, 2-diamine | N-(2-(3, 4-Dichl
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of sigma non-opioid intracellular receptor 1
Names and Identifiers Canonical Smiles CN(CCc1ccc(c(c1)Cl)Cl)CCN(C)C IUPAC Name N-[2-(3,4-dichlorophenyl)ethyl]-N,N',N'-trimethylethane-1,2-diamine InChIKey MGVRNMUKTZOQOW-UHFFFAOYSA-N INCHI 1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3 Isomeric SMILES CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl PubChem CID 188914
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 Phenethylamines Intermediate Tree Nodes Not available Direct Parent Phenethylamines Alternative Parents Dichlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Phenethylamine - 1,2-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. 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 275.210 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 6 Exact Mass 274.1 Da Monoisotopic Mass 274.1 Da Topological Polar Surface Area 6.500 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 212.000 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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