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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one , CAS No.D667880
Synonyms
4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one | NMALCZJKSYZTRE-UHFFFAOYSA-N | Oprea1_034945 | Oprea1_173605 | 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one | BDBM50182747 | STK004170 | AKOS000650068 | AB00105385-01
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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
4-(3, 4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one | NMALCZJKSYZTRE-UHFFFAOYSA-N | Oprea1_034945 | Oprea1_173605 | 4-(3, 4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one | BDBM50182747 | STK004170 | AKOS000650068 | AB00105385-01
Product Properties Names and Identifiers Canonical Smiles C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC=C(C=C3)F IUPAC Name 4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)butan-1-one InChIKey NMALCZJKSYZTRE-UHFFFAOYSA-N INCHI 1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2 Isomeric SMILES C1CN(CC2=CC=CC=C21)CCCC(=O)C3=CC=C(C=C3)F Molecular Weight 297.4 Reaxy-Rn 1688490 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1688490&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Phenylbutylamines Butyrophenones Tetrahydroisoquinolines Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aralkylamines Gamma-amino ketones Aryl fluorides Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Tetrahydroisoquinoline - Aryl alkyl ketone - Benzoyl - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Gamma-aminoketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 297.400 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 5 Exact Mass 297.153 Da Monoisotopic Mass 297.153 Da Topological Polar Surface Area 20.300 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 364.000 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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