Chemical Properties of Harmaline (CAS 304-21-2)

InChI

InChI=1S/C13H14N2O/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

InChI Key

RERZNCLIYCABFS-UHFFFAOYSA-N

Formula

C13H14N2O

SMILES

COc1ccc2c3c([nH]c2c1)C(C)=NCC3

Molecular Weight¹

214.26

CAS

304-21-2

Other Names

• 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-
• Harmidine
• 3,4-Dihydroharmine
• Armalin
• Dihydroharmine
• Harmine, dihydro-
• 1-Methyl-7-methoxy-3,4-dihydro-«beta»-carboline
• 3,4-Dihydro-7-methoxy-1-methyl-9H-pyrid[3,4-b]indole
• 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido(3,4-b)indole
• Harmalol methyl ether
• O-Methylharmalol
• NSC 407285
• 3,4-Dihydro-7-methoxy-1-methyl-9-pyrid(3,4-b)indole
• 7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Harmaline.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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