Chemical Properties of Harmine (CAS 442-51-3)

InChI

InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3

InChI Key

BXNJHAXVSOCGBA-UHFFFAOYSA-N

Formula

C13H12N2O

SMILES

COc1ccc2c(c1)[nH]c1c(C)nccc12

Molecular Weight¹

212.25

CAS

442-51-3

Other Names

• 1-Methyl-7-methoxy-«beta»-carboline
• 6-Methoxyharman
• 7-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
• 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole
• 9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-
• Banisterin
• Banisterine
• Harmin
• Leucoharmine
• Telepathin
• Telepathine
• Yagein
• Yageine
• Yajeine

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Harmine.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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