chempirical

3,5-Bis(2-cyanoprop-2-yl)toluene

C15H18N2CAS 120511-72-0226.32 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C15H18N2
Molar mass
226.32 g/mol
Exact mass
226.1470 Da
Melting point
124–129 °C
logP
3.60Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
120511-72-0
SMILES
Cc1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1
InChIKey
SJECEXNMZXMXNE-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Benzenediacetonitrile, α1,α1,α3,α3,5-pentamethyl-
  • 1,3-Benzenediacetonitrile, α,α,α′,α′,5-pentamethyl-
  • α1,α1,α3,α3,5-Pentamethyl-1,3-benzenediacetonitrile
  • 2,2′-(5-Methyl-1,3-phenylene)di(2-methylpropionitrile)
  • 3,5-Bis(2-cyano-2-methylethyl)toluene
  • 2-[3-(Cyanodimethylmethyl)-5-methylphenyl]-2-methylpropionitrile
  • 2,2′-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile)
  • 2,2′-(5-Methylbenzene-1,3-diyl)bis(2-methylpropanenitrile)
  • 2-[3-(2-Cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile

Work with 3,5-Bis(2-cyanoprop-2-yl)toluene

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

5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile120511-84-456 % similar 3,5-Di-tert-butyltoluene15181-11-054 % similar 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene98-19-148 % similar 2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-047 % similar 2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-747 % similar Anastrozole120511-73-144 % similar 3,5-Dimethylbenzonitrile22445-42-737 % similar 1,3,5-Tri-tert-butylbenzene1460-02-235 % similar

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

Same formula

N-Isopropyl-N'-phenyl-1,4-phenylenediamine101-72-4 4,4′-Diamino-3,3′-dimethyldiphenylmethane838-88-0

Elsewhere

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