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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(1H-Indol-3-yl)butan-2-one - ≥95% , CAS No.5541-89-9
Synonyms
A848141 | CDS1_000842 | ZJCUUXGLZWBCIL-UHFFFAOYSA-N | 9BF | 4-(1~{H}-indol-3-yl)butan-2-one | Z276142282 | SR-01000389839-2 | 4-(1H-indol-3-yl)-butan-2-one | 4-(1h-indol-3-yl)butan-2-one | DivK1c_001882 | STL512352 | CCG-15124 | 1-(Indol-3-yl)butan-3-one
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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 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
A848141 | CDS1_000842 | ZJCUUXGLZWBCIL-UHFFFAOYSA-N | 9BF | 4-(1~{H}-indol-3-yl)butan-2-one | Z276142282 | SR-01000389839-2 | 4-(1H-indol-3-yl)-butan-2-one | 4-(1h-indol-3-yl)butan-2-one | DivK1c_001882 | STL512352 | CCG-15124 | 1-(Indol-3-yl)butan-3-one
Specifications & Purity
≥95%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504758087 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758087 Canonical Smiles CC(=O)CCC1=CNC2=CC=CC=C21 IUPAC Name 4-(1H-indol-3-yl)butan-2-one InChIKey ZJCUUXGLZWBCIL-UHFFFAOYSA-N INCHI 1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3 Isomeric SMILES CC(=O)CCC1=CNC2=CC=CC=C21 Molecular Weight 187.24 Reaxy-Rn 136521 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136521&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 Organoheterocyclic compounds Class Indoles and derivatives Subclass Indoles Intermediate Tree Nodes Not available Direct Parent 3-alkylindoles Alternative Parents Substituted pyrroles Benzenoids Heteroaromatic compounds Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 3-alkylindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 92-97 °C Molecular Weight 187.240 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 3 Exact Mass 187.1 Da Monoisotopic Mass 187.1 Da Topological Polar Surface Area 32.900 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 214.000 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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