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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-[(4-Benzylpiperazin-1-yl)methyl]indole-2,3-dione , CAS No.B668664
Synonyms
1-[(4-benzyl-1-piperazinyl)methyl]-1H-indole-2,3-dione | 1-[(4-benzylpiperazin-1-yl)methyl]indole-2,3-dione | CBDivE_005925 | 1-(4-Benzyl-piperazin-1-ylmethyl)-1H-indole-2,3-dione | BDBM50448799 | STK215552 | AKOS000520103 | AB00073991-01 | AG-205/0603301
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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-[(4-benzyl-1-piperazinyl)methyl]-1H-indole-2, 3-dione | 1-[(4-benzylpiperazin-1-yl)methyl]indole-2, 3-dione | CBDivE_005925 | 1-(4-Benzyl-piperazin-1-ylmethyl)-1H-indole-2, 3-dione | BDBM50448799 | STK215552 | AKOS000520103 | AB00073991-01 | AG-205/0603301
Product Properties Names and Identifiers Canonical Smiles C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=O)C3=O IUPAC Name 1-[(4-benzylpiperazin-1-yl)methyl]indole-2,3-dione InChIKey BMIQFAZFVXOTTO-UHFFFAOYSA-N INCHI 1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)23(20(19)25)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2 Isomeric SMILES C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4C(=O)C3=O Molecular Weight 335.4 Reaxy-Rn 26608811 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26608811&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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Indoles and derivatives Alternative Parents Phenylmethylamines Benzylamines Aryl ketones N-alkylpiperazines Aralkylamines Vinylogous amides Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Indole or derivatives - Benzylamine - Phenylmethylamine - Aryl ketone - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactam - Ketone - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. 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 335.400 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 335.163 Da Monoisotopic Mass 335.163 Da Topological Polar Surface Area 43.900 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 495.000 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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