HARMALINE HYDROCHLORIDE DIHYDRATE

Basic Information

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CAS Number

6027-98-1

Molecular Formula

C13H19ClN2O3

Molecular Weight

286.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

232-240 °C

Boiling Point

426.4°C at 760 mmHg

Flash Point

211.7°C

SMILES

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Cl[H].O(C([H])([H])[H])C1C([H])=C([H])C2=C(C=1[H])N([H])C1C(C([H])([H])[H])=NC([H])([H])C([H])([H])C=12.O([H])[H].O([H])[H]

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

InChIKey

LCEKUHFBUFUSSY-UHFFFAOYSA-N

LogP

2.65060

Topological Polar Surface Area

100.38 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

302

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2)
HARMALINE HCL(RG)
Harmaline hydrochloride
HARMALINE HYDROCHLORIDE DIHYDRATE
3,4-DIHYDRO-7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]-INDOLE HYDROCHLORIDE DIHYDRATE
4,9-dihydro-7-methoxy-1-methyl-3H-Pyrido[3,4-b]indole hydrochloride hydrate
HARMALINE HCL DIHYDRATE(RG)
HARMALOL METHYL ETHER HYDROCHLORIDE DIHYDRATE
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
7-methoxy-1-methyl-3,4-dihydrobeta-carboline, chloride, hydrate, hydrate
Prestwick_251
HARMALINEHYDROCHLORIDEDIHYDRATE
HARMALINE, HYDROCHLORIDE, DIHYDRATE
HMS1569J22

MDL Number

MFCD00012637

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Harmaline Hydrochloride Dihydrate (CAS: 6027-98-1)?

Harmaline Hydrochloride Dihydrate is a white crystalline compound with a molecular weight of approximately 335.34 g/mol. It is slightly soluble in water and ethanol. Chemically, it is stable under normal conditions but can react with strong bases. It exhibits a characteristic melting point range of 175-177°C and is commonly used in research and pharmaceutical applications.

How is Harmaline Hydrochloride Dihydrate (CAS: 6027-98-1) typically synthesized?

Harmaline Hydrochloride Dihydrate is synthesized by the hydrochloric acid treatment of harmaline, a naturally occurring alkaloid. Common synthesis involves the condensation of harmaline with hydrochloric acid and the subsequent drying to form the dihydrate form. This process typically yields a high purity product with a yield of over 95%.

What industries use Harmaline Hydrochloride Dihydrate (CAS: 6027-98-1)?

Harmaline Hydrochloride Dihydrate is used in the pharmaceutical industry for its potential medicinal properties. It is also utilized in the chemical industry for research purposes due to its unique chemical structure. Additionally, it has applications in the sensor industry as a reagent for detection and analysis.

What precautions should be taken when handling Harmaline Hydrochloride Dihydrate (CAS: 6027-98-1)?

When handling Harmaline Hydrochloride Dihydrate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled with caution, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions.