1,3-Dimethylnaphthalene

C₁₂H₁₂CAS 575-41-7156.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂
Molar mass: 156.23 g/mol
Exact mass: 156.0939 Da
Density: 1.0144 g/mL (at 20 °C)
Melting point: −6 °C
Boiling point: 263 °C
logP: 3.46Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

575-41-7

SMILES

Cc1cc(C)c2ccccc2c1

InChIKey

QHJMFSMPSZREIF-UHFFFAOYSA-N

InChI

InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3

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

Names and synonyms

2 names

Naphthalene, 1,3-dimethyl-
NSC 66991

Work with 1,3-Dimethylnaphthalene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methylnaphthalene1321-94-454 % similar 1-Methylnaphthalene90-12-054 % similar 9-Methylanthracene779-02-248 % similar 2-Methylnaphthalene91-57-648 % similar 2,3,5-Trimethylnaphthalene2245-38-745 % similar 9,9′-Bianthryl1055-23-842 % similar 5-Methyl-1,10-phenanthroline3002-78-641 % similar Iodomesitylene4028-63-141 % similar

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

Same formula

1-Ethylnaphthalene1127-76-0 1,8-Dimethylnaphthalene569-41-5 1,4-Dimethylnaphthalene571-58-4 1,5-Dimethylnaphthalene571-61-9 1,2-Dimethylnaphthalene573-98-8 1,7-Dimethylnaphthalene575-37-1 1,6-Dimethylnaphthalene575-43-9 2,3-Dimethylnaphthalene581-40-8

Elsewhere

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