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

Harmaline

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
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Physical Properties

Property Value Unit Source
ω 0.6090 Relay (1.0) Calculated Property
ΔfG° 195.53 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 39.52 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 95.33 kJ/mol Relay (1.0) Calculated Property
IE 7.38 ± 0.06 eV NIST
log10WS -3.18 Relay (1.0) Calculated Property
logPoct/wat 2.060 Crippen Calculated Property
McVol 165.780 ml/mol McGowan Calculated Property
Pc 2823.73 kPa Relay (1.0-beta) Calculated Property
Inp 2266.00 NIST
Tboil 644.20 K Relay (1.0) Calculated Property
Tc 930.15 K Relay (1.0) Calculated Property
Tfus 469.63 K Relay (1.0) Calculated Property
Vc 0.616 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3H-Pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-methyl-. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Harmaline.

Sources

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