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Harmaline

CAT: 0013-GTR19197126-01Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197126-01Size:20 mg
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Description
Harmaline is a fluorescent beta-carboline alkaloid and the reduced form of harmine. It is widely used in research as a monoamine oxidase inhibitor (MAOI) for neurological studies and has applications in both in vitro enzyme assays and in vivo pharmacological models.
CAS Number
304-21-2
Product Name Alternative
Harmaline
Purity
99.57% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:8.06 mg/mL (37.62 mM)
Smiles
CC=1C2=C (C=3C (N2) =CC (OC) =CC3) CCN1
Molecular Formula
C13H14N2O
Molecular Weight
214.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Harmaline

Harmaline is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as a oneirogen. It derives from a hydride of a harman.

CAS Number304-21-2
PubChem CID3564
IUPAC Name7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Molecular FormulaC13H14N2O
Molecular Weight214.26
XLogP2.1
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity302
SMILES
CC1=NCCC2=C1NC3=C2C=CC(=C3)OC
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
InChIKey
RERZNCLIYCABFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Harmaline
CAS: 304-21-2
CID: 3564
Formula: C13H14N2O
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass214.110613074
Monoisotopic Mass214.110613074
Topological Polar Surface Area37.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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