chempirical

Pivalonitrile

C5H9NCAS 630-18-283.13 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C5H9N
Molar mass
83.13 g/mol
Exact mass
83.0735 Da
Melting point
15 °C
Boiling point
106.1 °C
logP
1.56Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
630-18-2
SMILES
CC(C)(C)C#N
InChIKey
JAMNHZBIQDNHMM-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3

Weigh it out

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

Names and synonyms

9 names
  • Propanenitrile, 2,2-dimethyl-
  • 2,2-Dimethylpropanenitrile
  • tert-Butyl cyanide
  • Trimethylacetonitrile
  • 2,2-Dimethylpropionitrile
  • tert-Butylnitrile
  • 2-Cyano-2-methylpropane
  • Neopentanenitrile
  • NSC 890

Work with Pivalonitrile

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

2-Amino-2-methylpropanenitrile19355-69-242 % similar Acetone cyanohydrin75-86-542 % similar Azobisisobutyronitrile78-67-142 % similar 2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-838 % similar 2,2-Dichloropropanedinitrile13063-43-933 % similar 2,2′-Azobis[2-methylbutyronitrile]13472-08-733 % similar 2-Amino-2,3-dimethylbutanenitrile13893-53-333 % similar Trifluoroacetonitrile353-85-533 % similar

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

Same formula

Pentanenitrile110-59-8 Butyl isocyanide2769-64-4 1,1-Dimethylpropargylamine2978-58-7 Isovaleronitrile625-28-5 1,2,3,6-Tetrahydropyridine694-05-3 tert-Butyl isocyanide7188-38-7 N,N-Dimethylpropargylamine7223-38-3 2-Methyl-1-pyrroline872-32-2

Elsewhere

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