Diethoxyacetonitrile
Properties
- Molecular formula
- C6H11NO2
- Molar mass
- 129.16 g/mol
- Exact mass
- 129.0790 Da
- Density
- 0.9288 g/mL (at 25 °C)
- Boiling point
- 55–56 °C
- logP
- 0.91Crippen estimate
- Polar surface area
- 42.3 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Identifiers
CAS number
6136-93-2SMILES
CCOC(C#N)OCCInChIKey
UDELMRIGXNCYLU-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Acetonitrile, 2,2-diethoxy-
- Formaldehyde, cyano-, diethyl acetal
- Acetonitrile, diethoxy-
- 2,2-Diethoxyacetonitrile
Work with Diethoxyacetonitrile
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
3,3-Diethoxy-1-propyne10160-87-950 % similar
3,3-Diethoxypropionitrile2032-34-046 % similar
(3,3-Diethoxy-1-propyn-1-yl)benzene6142-95-642 % similar
1,1-Diethoxyethane105-57-739 % similar
1,1,3,3-Tetraethoxypropane122-31-639 % similar
Ethyl 2-cyanopropanoate1572-99-238 % similar
Dimethylformamide diethyl acetal1188-33-636 % similar
Ethyl 2,3-dicyanopropionate40497-11-835 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds