4-tert-Butylphthalonitrile

C₁₂H₁₂N₂CAS 32703-80-3184.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂N₂
Molar mass: 184.24 g/mol
Exact mass: 184.1000 Da
Melting point: 57–59 °C
logP: 2.73Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

32703-80-3

SMILES

CC(C)(C)c1ccc(C#N)c(C#N)c1

InChIKey

LOTMIRVNJTVTSU-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

7 names

1,2-Benzenedicarbonitrile, 4-(1,1-dimethylethyl)-
Phthalonitrile, 4-tert-butyl-
4-(1,1-Dimethylethyl)-1,2-benzenedicarbonitrile
4-tert-Butylphthalodinitrile
4-tert-Butyl-1,2-dicyanobenzene
1,2-Dicyano-4-tert-butylbenzene
4-tert-Butylbenzene-1,2-dicarbonitrile

Work with 4-tert-Butylphthalonitrile

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

6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile32703-82-570 % similar 4-(1,1-Dimethylethyl)benzonitrile4210-32-655 % similar 2,6-Di-tert-butylnaphthalene3905-64-446 % similar 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-046 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-845 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-245 % similar 1,4-Di-tert-butylbenzene1012-72-244 % similar 1,2,4,5-Benzenetetracarbonitrile712-74-344 % similar

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

Same formula

4-Aminodiphenylamine101-54-2 4,4′-Dimethyl-2,2′-bipyridine1134-35-6 Hydrazobenzene122-66-7 5,5′-Dimethyl-2,2′-bipyridine1762-34-1 N-Phenyl-2-pyridinemethanamine4329-81-1 6,6′-Dimethyl-2,2′-bipyridine4411-80-7 1,2-Bis(4-pyridyl)ethane4916-57-8 N,N-Diphenylhydrazine530-50-7

Elsewhere

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