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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole - ≥95% , CAS No.3790-45-2 🧪
Why this grade ≥95% 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 Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4 IUPAC Name 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole InChIKey INERHEQVAVQJBO-UHFFFAOYSA-N INCHI 1S/C17H16N2/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-9,16,18-19H,10-11H2 Isomeric SMILES C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4 Alternate CAS 3790-45-2 PubChem CID 198967 Molecular Weight 248.32
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 Alkaloids and derivatives Class Harmala alkaloids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Harmala alkaloids Alternative Parents Beta carbolines 3-alkylindoles Aralkylamines Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. 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 248.320 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 248.131 Da Monoisotopic Mass 248.131 Da Topological Polar Surface Area 27.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 310.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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