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

Harmaline

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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
COc1ccc2c(c1)[nH]c1c2CCN=C1C
Molecular Weight1
214.26
CAS
304-21-2
Other Names
  • 1-Methyl-7-methoxy-3,4-dihydro-«beta»-carboline
  • 3,4-Dihydro-7-methoxy-1-methyl-9-pyrid(3,4-b)indole
  • 3,4-Dihydro-7-methoxy-1-methyl-9H-pyrid[3,4-b]indole
  • 3,4-Dihydroharmine
  • 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-
  • 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido(3,4-b)indole
  • 7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
  • Armalin
  • Dihydroharmine
  • Harmalol methyl ether
  • Harmidine
  • Harmine, dihydro-
  • NSC 407285
  • O-Methylharmalol
Sources

Physical Properties

Property Value Unit Source
IE 7.38 ± 0.06 eV NIST
logPoct/wat 2.54 Crippen Calculated Property

Similar Compounds

3H-pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-methyl-. Rescinnamine. 1,2,3,4-Tetrahydro-1-(3'-methoxy-4'-benzyloxybenzyl)-9-pyrid[3,4,b] indole hydrochloride. Phenindamine M (nor, OH), acetylated. Ibogaine. 3-(Benzyloxy)-5,7,8,13,13b,14-hexahydro-2-methoxybenz[g]indole[2,3-a]quinolizine, hydrochloride. 1,2,3,4-Tetrahydro-1-(3'-hydroxy-4'-methoxybenzyl)-9-pyrid[3,4,b]indole hydrochloride. 17,18-Dimethoxy-15,16,17,18,19,20-hexadehydroyohimbane hydrochloride. Syrosingopine. Phenindamine M (OH), acetylated. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Yohimbine. Deserpidine. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. Phenindamine M (nor), acetylated.

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