9-Methyl-9H-beta-carboline

C₁₂H₁₀N₂CAS 2521-07-5182.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀N₂
Molar mass: 182.23 g/mol
Exact mass: 182.0844 Da
logP: 2.73Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2521-07-5

SMILES

CN1C2=CC=CC=C2C3=C1C=NC=C3

InChIKey

MABOIYXDALNSES-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2/c1-14-11-5-3-2-4-9(11)10-6-7-13-8-12(10)14/h2-8H,1H3

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Names and synonyms

1 names

9-Methyl-beta-carboline

Work with 9-Methyl-9H-beta-carboline

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

N-Methylcarbazole1484-12-468 % similar N-Methylacridone719-54-052 % similar N,N'-Dimethylquinacridone19205-19-746 % similar N-Methylisatoic anhydride10328-92-442 % similar Beta-carboline244-63-341 % similar 1,2-Dimethyl-1H-indole-3-carboxaldehyde38292-40-939 % similar 1,2-Dimethyl-1H-indole-3-carbonitrile51072-84-539 % similar 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-938 % similar

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

Same formula

Azobenzene103-33-3 4,4′-(1E)-1,2-Ethenediylbis[pyridine]13362-78-2 2,2′-(1,2-Ethenediyl)bis[pyridine]1437-15-6 Harmane486-84-0 5,10-Dihydro-phenazine613-32-1

Elsewhere

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