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304-21-2

304-21-2 structural image
Product Name: HARMALINE
Formula: C13H14N2O
Synonyms: 1-Methyl-7-methoxy-3,4-dihydro-β-carboline;3,4-Dihydroharmine;4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido[3,4-b]indole;Dihydroharmine;Harmalol methyl ether
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form Orthorhombic bipyramidal prisms, tablets from methanol, rhombic octahedra from ethanol
Melting Point 229-231 °C
Solubility 30.6 [ug/mL] (The mean of the results at pH 7.4)
Dissociation Constants pKa = 4.2
Collision Cross Section 146.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2266
Other Experimental Properties Slender needles, moderately soluble in water, alcohol /Hydrochloride dihydrate/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H371:Specific target organ toxicity, single exposure
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 214.26 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 214.110613074 g/mol
Monoisotopic Mass 214.110613074 g/mol
Topological Polar Surface Area 37.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 302
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Harmaline is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as a oneirogen. It derives from a hydride of a harman.

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product:304-21-2 Harmaline 98%
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