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

Harmine

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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
  • 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
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Physical Properties

Property Value Unit Source
IE 7.78 ± 0.06 eV NIST
log10WS -4.48 Aq. Sol...
logPoct/wat 2.551 Crippen Calculated Property
McVol 161.480 ml/mol McGowan Calculated Property
Inp 2291.00 NIST
Tfus 541.65 K Aq. Sol...

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 48.80 kJ/mol 536.60 NIST

Similar Compounds

9H-Pyrido(3,4-b)indole, 6-methoxy-1-methyl-. 9H-Pyrido[3,4-b]indol-7-ol, 1-methyl-. 9H-Pyrido[3,4-b]indole, 1-methyl-. Harmaline. Azatadine M (OH-aryl), acetylated. adenosine-2'-monophosphate, TMS. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Cytidine, etho-oxime-TMS derivative. cyclomegistine. Cytidine, buto-oxime-TMS derivative. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. guanosine, TMS. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate].

Find more compounds similar to Harmine.

Sources

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