6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile

C16H14N2CAS 32703-82-5234.30 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C16H14N2
Molar mass
234.30 g/mol
Exact mass
234.1157 Da
logP
3.88Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
32703-82-5
SMILES
CC(C)(C)c1ccc2cc(C#N)c(C#N)cc2c1
InChIKey
MKILROQBJOOZKC-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • 2,3-Naphthalenedicarbonitrile, 6-(1,1-dimethylethyl)-
  • 2,3-Naphthalenedicarbonitrile, 6-tert-butyl-
  • 6-tert-Butyl-2,3-dicyanonaphthalene
  • 2,3-Dicyano-6-tert-butylnaphthalene
  • 6-tert-Butyl-2,3-naphthalodinitrile
  • 6-tert-Butylnaphthalene-2,3-dicarbonitrile
  • 6-tert-Butyl-2,3-naphthalenedicarbonitrile

Work with 6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile

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

4-tert-Butylphthalonitrile32703-80-370 % similar 2,6-Di-tert-butylnaphthalene3905-64-463 % similar 2,3-Dicyanonaphthalene22856-30-052 % similar 4-(1,1-Dimethylethyl)benzonitrile4210-32-650 % similar 1,4-Di-tert-butylbenzene1012-72-239 % similar 1,2,4,5-Benzenetetracarbonitrile712-74-339 % similar 1,3-Di-tert-butylbenzene1014-60-439 % similar 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Benzylaminoquinoline37385-01-6

Elsewhere

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