chempirical

2-(Ethoxymethylene)propanedinitrile

C6H6N2OCAS 123-06-8122.13 g/mol

Open in Covalent MOL file
ONN
AlkeneEtherNitrile

Properties

Molecular formula
C6H6N2O
Molar mass
122.13 g/mol
Exact mass
122.0480 Da
Melting point
66 °C
Boiling point
156–157 °C (at 15 Torr)
logP
0.95Crippen estimate
Polar surface area
56.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
123-06-8
SMILES
CCOC=C(C#N)C#N
InChIKey
OEICGMPRFOJHKO-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all
  • Propanedinitrile, 2-(ethoxymethylene)-
  • Malononitrile, (ethoxymethylene)-
  • Propanedinitrile, (ethoxymethylene)-
  • (Ethoxymethylene)malononitrile
  • 2-Cyano-3-ethoxyacrylonitrile
  • (β-Ethoxymethylene)malononitrile
  • (Ethoxymethylene)malonodinitrile
  • α-Cyano-β-ethoxyacrylonitrile
  • 1,1-Dicyano-2-ethoxyethene
  • 1-Ethoxy-2,2-dicyanoethene
  • 2-Ethoxy-1,1-ethenedicarbonitrile
  • 1-Ethoxy-2,2-dicyanoethylene
  • (Ethoxymethylene)propanedinitrile
  • NSC 27792
  • (Ethoxymethylidene)malononitrile
  • 1-Ethoxymethylenemalonitrile
  • Ethoxymethylenemalonitrile
  • 2-(Ethoxymethylene)malononitrile
  • 2-(Ethoxymethylidene)propanedinitrile

Work with 2-(Ethoxymethylene)propanedinitrile

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

Ethyl (ethoxymethylene)cyanoacetate94-05-352 % similar 3-Ethoxy-2-propenenitrile61310-53-041 % similar Ethyl cyanoformate623-49-440 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-339 % similar Diethyl (ethoxymethylene)malonate87-13-838 % similar [(Dimethylamino)methylene]propanedinitrile16849-88-034 % similar Ethyl cyanoacrylate7085-85-034 % similar Ethyl vinyl ether109-92-233 % similar

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

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 4-Pyridinealdoxime696-54-8 Pyridine 2-aldoxime873-69-8

Elsewhere

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