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· · COA & SDS available for every product · Same-day shipping on in-stock items Harmaline hydrochloride dihydrate - analytical standard, ≥98% , CAS No.6027-98-1
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98% Synonyms
Harmaline hydrochloride dihydrate|6027-98-1|5B4DGH2M9R|7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride|7-Methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole hydrochloride dihydrate|UNII-5B4DGH2M9R|CCRIS 7891|63885-08-5|Prestw
Shipped In
Ice chest + Ice pads
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Why this grade analytical standard, ≥98% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
Harmaline hydrochloride dihydrate | 6027-98-1 | 5B4DGH2M9R | 7-methoxy-1-methyl-4, 9-dihydro-3H-pyrido[3, 4-b]indole;dihydrate;hydrochloride | 7-Methoxy-1-methyl-4, 9-dihydro-3H-pyrido[3, 4-b]indole hydrochloride dihydrate | UNII-5B4DGH2M9R | CCRIS 7891 | 63885-08-5 | Prestw
Specifications & Purity
analytical standard, ≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=NCCC2=C1NC3=C2C=CC(=C3)OC.O.O.Cl IUPAC Name 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride InChIKey LCEKUHFBUFUSSY-UHFFFAOYSA-N INCHI 1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*1H2 Isomeric SMILES CC1=NCCC2=C1NC3=C2C=CC(=C3)OC.O.O.Cl Alternate CAS 304-21-2 Molecular Weight 286.75 Reaxy-Rn 30175419 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30175419&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 Alkaloids and derivatives Class Harmala alkaloids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Harmala alkaloids Alternative Parents Beta carbolines 3-alkylindoles Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Harmaline - Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole or derivatives - Indole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Ketimine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Imine - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 Melt Point(°C) 232-240℃ Molecular Weight 286.750 g/mol XLogP3 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 286.108 Da Monoisotopic Mass 286.108 Da Topological Polar Surface Area 39.400 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 302.000 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 4
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