3,6-Dimethylcarbazole

C₁₄H₁₃NCAS 5599-50-8195.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₃N
Molar mass: 195.26 g/mol
Exact mass: 195.1048 Da
Melting point: 173–187 °C
logP: 3.94Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

5599-50-8

SMILES

Cc1ccc2[nH]c3ccc(C)cc3c2c1

InChIKey

HNACKJNPFWWEKI-UHFFFAOYSA-N

InChI

InChI=1S/C14H13N/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-8,15H,1-2H3

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

Names and synonyms

3 names

9H-Carbazole, 3,6-dimethyl-
Carbazole, 3,6-dimethyl-
3,6-Dimethyl-9H-carbazole

Work with 3,6-Dimethylcarbazole

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

Pigment red 122980-26-767 % similar 3,6-Dimethylphenanthrene1576-67-652 % similar 2,5-Dimethylindole1196-79-850 % similar 5-Methyltryptamine1821-47-248 % similar 5-Methylindole614-96-048 % similar 3,6-Bis(tert-butyl)carbazole37500-95-146 % similar 2,8-Dimethyldibenzothiophene1207-15-446 % similar 3,6-Diiodo-9H-carbazole57103-02-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzhydrylidene methylamine13280-16-5 10,11-Dihydro-5H-dibenz[b,f]azepine494-19-9 4-Aminostilbene834-24-2 9-Ethylcarbazole86-28-2

Elsewhere

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