3,3-Diethoxypropiononitrile

C7H13NO2CAS 2032-34-0143.19 g/mol

Open in Covalent MOL file
ONO
AcetalEtherNitrile

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
Density
0.9496 g/mL (at 20 °C)
Boiling point
99 °C (at 14 Torr)
logP
1.30Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2032-34-0
SMILES
CCOC(CC#N)OCC
InChIKey
WBOXEOCWOCJQNK-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3

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Names and synonyms

6 names
  • 3,3-Diethoxypropionitrile
  • Propanenitrile, 3,3-diethoxy-
  • Acetaldehyde, cyano-, diethyl acetal
  • 3,3-Diethoxypropanenitrile
  • Malonaldehydenitrile diethyl acetal
  • Cyanoacetaldehyde diethylacetal

Work with 3,3-Diethoxypropiononitrile

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

3,3-Dimethoxypropionitrile57597-62-352 % similar 1,1,3,3-Tetraethoxypropane122-31-648 % similar Diethoxyacetonitrile6136-93-246 % similar Diethyl P-(2,2-diethoxyethyl)phosphonate7598-61-043 % similar Bromoacetaldehyde diethyl acetal2032-35-142 % similar 2-Chloro-1,1-diethoxyethane621-62-542 % similar 2,2-Diethoxyethanol621-63-642 % similar Aminoacetaldehyde diethylacetal645-36-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3 Dimethylaminoethyl acrylate2439-35-2

Elsewhere

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