chempirical

1-Ethylnaphthalene

C12H12CAS 1127-76-0156.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H12
Molar mass
156.23 g/mol
Exact mass
156.0939 Da
Density
1.0221 g/mL (at 0 °C)
Melting point
−13.9 °C
Boiling point
258.6 °C
logP
3.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
1127-76-0
SMILES
CCc1cccc2ccccc12
InChIKey
ZMXIYERNXPIYFR-UHFFFAOYSA-N
InChI
InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

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

Names and synonyms

3 names
  • Naphthalene, 1-ethyl-
  • α-Ethylnaphthalene
  • NSC 59390

Work with 1-Ethylnaphthalene

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

1,2-Diethylbenzene135-01-359 % similar 1-Naphthalenemethanamine118-31-056 % similar 1-Naphthalenemethanol4780-79-456 % similar N-Methyl-1-naphthalenemethanamine14489-75-955 % similar 1-Naphthaleneacetonitrile132-75-252 % similar 1-Naphthaleneethanol773-99-952 % similar 1-(2-Propen-1-yl)naphthalene2489-86-350 % similar 2,6-Diethylaniline579-66-850 % similar

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

Same formula

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 1,3-Dimethylnaphthalene575-41-7 1,6-Dimethylnaphthalene575-43-9 2,3-Dimethylnaphthalene581-40-8

Elsewhere

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