Gamma-carboline

C₁₁H₈N₂CAS 244-69-9168.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂
Molar mass: 168.20 g/mol
Exact mass: 168.0687 Da
logP: 2.72Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

244-69-9

SMILES

C1=CC=C2C(=C1)C3=C(N2)C=CN=C3

InChIKey

RDMFHRSPDKWERA-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-7,13H

Weigh it out

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

Work with Gamma-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

Carbazole86-74-861 % similar 5,7-Dihydroindolo(2,3-b)carbazole111296-90-350 % similar Ellipticine519-23-350 % similar 3,3'-Bicarbazole1984-49-247 % similar 5H-Benzo[b]carbazole243-28-745 % similar Acridone578-95-045 % similar 9-Aminoacridine90-45-945 % similar 3-Phenyl-9H-carbazole103012-26-642 % similar

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

Same formula

Beta-carboline244-63-3 9H-Pyrido[2,3-b]indole244-76-8 5H-Pyrido(3,2-b)indole245-08-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook