2-(Ethoxymethylene)propanedinitrile

C₆H₆N₂OCAS 123-06-8122.13 g/mol

Open in Covalent MOL file

Alkene Ether Nitrile

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed23.2% of notifiers
H302 Harmful if swallowed76.8% of notifiers
H311 Toxic in contact with skin16.1% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P403, P405, P501

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-Aminonicotinaldehyde42373-30-8 5-Methylpyrazine-2-carboxaldehyde50866-30-3

Elsewhere

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