chempirical

1-Cyclopropylnaphthalene

C13H12CAS 25033-19-6168.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H12
Molar mass
168.24 g/mol
Exact mass
168.0939 Da
Density
1.0515 g/mL (at 20 °C)
Boiling point
152–154 °C (at 18 Torr)
logP
3.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
25033-19-6
SMILES
c1ccc2c(C3CC3)cccc2c1
InChIKey
VZZBXOLWBXJHEK-UHFFFAOYSA-N
InChI
InChI=1S/C13H12/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-9-11/h1-7,11H,8-9H2

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Names and synonyms

2 names
  • Naphthalene, 1-cyclopropyl-
  • 1-Naphthylcyclopropane

Work with 1-Cyclopropylnaphthalene

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

2-(Naphthalen-1-yl)pyrrolidine121193-91-753 % similar (-)-1-(1-Naphthyl)ethylamine10420-89-050 % similar (+)-1-(1-Naphthyl)ethylamine3886-70-250 % similar 1-(1-Naphthyl)ethylamine42882-31-550 % similar (R)-4-Amino-3-(naphthalen-1-yl)butanoic acid108827-19-647 % similar 1,1'-Binaphthyl604-53-544 % similar Phenanthrene85-01-843 % similar (R)-(-)-1-(1-Naphthyl)ethyl isocyanate42340-98-742 % similar

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

Same formula

Diphenylmethane101-81-5 1-(2-Propen-1-yl)naphthalene2489-86-3 2-Methylbiphenyl643-58-3 3-Methylbiphenyl643-93-6 4-Methylbiphenyl644-08-6

Elsewhere

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