1H,2H,3H,4H,5H-Pyrido[4,3-b]indole

C₁₁H₁₂N₂CAS 6208-60-2172.23 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₁₂N₂
Molar mass: 172.23 g/mol
Exact mass: 172.1000 Da
logP: 1.81Crippen estimate
Polar surface area: 27.8 Å²
H-bond donors / acceptors: 2 / 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

6208-60-2

SMILES

C1CNCC2=C1NC3=CC=CC=C23

InChIKey

RPROHCOBMVQVIV-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2

Weigh it out

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

Names and synonyms

1 names

2,3,4,5-Tetrahydro-1H-pyrido[4,3-B]indole

Work with 1H,2H,3H,4H,5H-Pyrido[4,3-b]indole

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

1,2,3,4-Tetrahydrocarbazole942-01-858 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-156 % similar Tacrine321-64-246 % similar Tacrine hydrochloride1684-40-843 % similar Lycoperodine-142438-90-440 % similar 1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid6052-68-240 % similar 2-Methyltryptamine2731-06-840 % similar Carbazole86-74-840 % similar

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

Same formula

3,5-Dimethyl-1-phenylpyrazole1131-16-4 1-Benzyl-2-methylimidazole13750-62-4 Tryptoline16502-01-5 2,3,6-Trimethylquinoxaline17635-21-1 1-(2-Phenylethyl)-1H-imidazole49823-14-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook