1,4,6,7-Tetramethylnaphthalene

C₁₄H₁₆CAS 13764-18-6184.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₆
Molar mass: 184.28 g/mol
Exact mass: 184.1252 Da
logP: 4.07Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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 4 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

13764-18-6

SMILES

CC1=C2C=C(C(=CC2=C(C=C1)C)C)C

InChIKey

VPSPONOBLZCLIU-UHFFFAOYSA-N

InChI

InChI=1S/C14H16/c1-9-5-6-10(2)14-8-12(4)11(3)7-13(9)14/h5-8H,1-4H3

Weigh it out

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

Work with 1,4,6,7-Tetramethylnaphthalene

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

1,4-Dimethylnaphthalene571-58-456 % similar 2,3,5-Trimethylnaphthalene2245-38-755 % similar Durene95-93-253 % similar 1,2,4-Trimethylbenzene95-63-650 % similar 1-Iodo-3,4-dimethylbenzene31599-61-848 % similar 1,5-Dimethylnaphthalene571-61-947 % similar 3,4-Dimethylbenzenethiol18800-53-845 % similar 4-Fluoro-1,2-dimethylbenzene452-64-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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