Harmaline

C13H14N2OCAS 304-21-2214.27 g/mol

Open in Covalent MOL file
ONHN
EtherImine

Properties

Molecular formula
C13H14N2O
Molar mass
214.27 g/mol
Exact mass
214.1106 Da
Melting point
250 °C (decomposes)
pKa
4.2
Water solubility
slightly soluble
logP
2.54Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P301+P317, P308+P316, P330, P405, P501

Identifiers

CAS number
304-21-2
SMILES
COc1ccc2c3c([nH]c2c1)C(C)=NCC3
InChIKey
RERZNCLIYCABFS-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-
  • Harmidine
  • 4,9-Dihydro-7-methoxy-1-methyl-3H-pyrido[3,4-b]indole
  • 3,4-Dihydroharmine
  • 3,4-Dihydro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
  • 1-Methyl-7-methoxy-3,4-dihydro-β-carboline
  • NSC 407285

Work with Harmaline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Harmaline hydrochloride dihydrate6027-98-1Salt

Similar compounds

Melatonin73-31-444 % similar 2-Methoxy-9H-carbazole6933-49-943 % similar 6-Methoxytryptamine3610-36-441 % similar Agomelatine138112-76-238 % similar Harmine442-51-337 % similar 5-Methoxytryptamine608-07-137 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-836 % similar Ibogaine83-74-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Methoxyharmalan3589-73-9 Alanine β-naphthylamide720-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook