chempirical

Harmine hydrochloride

C13H13ClN2OCAS 343-27-1248.71 g/mol

Open in Covalent MOL file
ONHNHCl
Ether

Properties

Molecular formula
C13H13ClN2O
Molar mass
248.71 g/mol
Exact mass
248.0716 Da
Melting point
272–275 °C (decomposes)
logP
3.45Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
343-27-1
SMILES
COc1ccc2c(c1)[nH]c1c(C)nccc12.Cl
InChIKey
VNPLYCKZIUTKJM-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names
  • 9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-, hydrochloride (1:1)
  • 9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-, monohydrochloride
  • Harmine monohydrochloride
  • 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole monohydrochloride

Work with Harmine hydrochloride

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

Similar compounds

Harmine442-51-392 % similar Harmane486-84-053 % similar 6-Methoxy-4-methylquinoline41037-26-740 % similar 3H-Pyrido[3,4-B]indole, 4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2)6027-98-138 % similar 5-Methoxybenzimidazole4887-80-338 % similar Mexamine66-83-138 % similar 6-Methoxytryptamine3610-36-437 % similar 2-Mercapto-5-methoxybenzimidazole37052-78-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ex 52749843-98-3 9-Aminoacridine hydrochloride monohydrate52417-22-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook