4,4-Dimethoxybutanenitrile

C₆H₁₁NO₂CAS 14618-78-1129.16 g/mol

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Properties

Molecular formula: C₆H₁₁NO₂
Molar mass: 129.16 g/mol
Exact mass: 129.0790 Da
Density: 0.992 g/mL (at 23 °C)
Boiling point: 93 °C (at 17 Torr)
logP: 0.91Crippen estimate
Polar surface area: 42.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

14618-78-1

SMILES

COC(CCC#N)OC

InChIKey

XJHNCGVHPLDMRK-UHFFFAOYSA-N

InChI

InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Butanenitrile, 4,4-dimethoxy-
Succinaldehydonitrile, dimethyl acetal
Butyronitrile, 4,4-dimethoxy-
4,4-Dimethoxybutyronitrile
3-Cyanopropionaldehyde dimethyl acetal
β-Cyanopropionaldehyde dimethylacetal
3-Cyanopropanal dimethyl acetal
1,1-Dimethoxy-3-cyanopropane

Work with 4,4-Dimethoxybutanenitrile

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

Same formula

L-Cyclopropylalanine102735-53-5 N-Acetylmorpholine1696-20-4 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2 α-Aminocyclobutaneacetic acid28024-69-3 Pipecolic acid3105-95-1 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-2

Elsewhere

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