2,2-Diethoxy-1-isocyanoethane

C7H13NO2CAS 15586-32-0143.19 g/mol

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AcetalEther

Properties

Molecular formula
C7H13NO2
Molar mass
143.19 g/mol
Exact mass
143.0946 Da
logP
1.30Crippen estimate
Polar surface area
22.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
15586-32-0
SMILES
CCOC(C[N+]#[C-])OCC
InChIKey
RTKVTNIPVCCCNG-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-4-9-7(6-8-3)10-5-2/h7H,4-6H2,1-2H3

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Names and synonyms

4 names
  • 1,1-Diethoxy-2-isocyanoethane
  • Ethane, 1,1-diethoxy-2-isocyano-
  • 1,1-Diethoxy-2-isocyano-ethane
  • Isocyanoacetaldehyddiethyl-ketale

Reactions

Work with 2,2-Diethoxy-1-isocyanoethane

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

1,1,3,3-Tetraethoxypropane122-31-648 % 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 3,3-Diethoxy-1-propanol16777-87-039 % similar 3-Chloro-1,1-diethoxypropane35573-93-439 % similar 2,2-Diethoxy-N,N-dimethylethanamine3616-56-639 % 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 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3 Dimethylaminoethyl acrylate2439-35-2

Elsewhere

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