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· · COA & SDS available for every product · Same-day shipping on in-stock items DASB - ≥95% , CAS No.627490-01-1
Synonyms
DASB | Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)- | UNII-PP549Z0645 | 3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-benzonitrile | PP549Z0645 | 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile | DTXSID001027386 | BD
Storage
Store at 2-8°C,Protected from light,Argon charged
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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
DASB | Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)- | UNII-PP549Z0645 | 3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-benzonitrile | PP549Z0645 | 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile | DTXSID001027386 | BD
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties Names and Identifiers Canonical Smiles CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N IUPAC Name 3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile InChIKey UVWLEPXXYOYDGR-UHFFFAOYSA-N INCHI 1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3 Isomeric SMILES CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N Molecular Weight 283.39 Reaxy-Rn 8699082 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8699082&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 Organosulfur compounds Class Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Diarylthioethers Alternative Parents Thiophenol ethers Phenylmethylamines Benzylamines Benzonitriles Aniline and substituted anilines Aralkylamines Trialkylamines Sulfenyl compounds Nitriles Primary amines Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Diarylthioether - Benzonitrile - Benzylamine - Aniline or substituted anilines - Phenylmethylamine - Thiophenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Nitrile - Carbonitrile - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl 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(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 283.400 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 283.114 Da Monoisotopic Mass 283.114 Da Topological Polar Surface Area 78.400 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 349.000 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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