Ethyl 2-cyano-2-methylpropionate

C7H11NO2CAS 1572-98-1141.17 g/mol

Open in Covalent MOL file
OON
EsterNitrile

Properties

Molecular formula
C7H11NO2
Molar mass
141.17 g/mol
Exact mass
141.0790 Da
Density
0.971 g/mL (at 26 °C)
Boiling point
185 °C
logP
1.10Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
1572-98-1
SMILES
CCOC(=O)C(C)(C)C#N
InChIKey
FYGRPGOHQCPZCV-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO2/c1-4-10-6(9)7(2,3)5-8/h4H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Propanoic acid, 2-cyano-2-methyl-, ethyl ester
  • Propionic acid, 2-cyano-2-methyl-, ethyl ester
  • 2-Cyano-2-(ethoxycarbonyl)propane
  • Ethyl 2-cyano-2-methylpropanoate
  • Ethyl 2-cyanoisobutyrate
  • 2,2-Dimethyl-2-cyanoacetic acid ethyl ester
  • NSC 402029
  • Cyanodimethylacetic acid ethyl ester
  • Ethyl 2-cyano-2,2-dimethylacetate
  • 2-Cyano-2-methylpropionic acid ethyl ester

Work with Ethyl 2-cyano-2-methylpropionate

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

Ethyl 1-cyanocyclopropanecarboxylate1558-81-263 % similar 1-Cyanocyclobutanecarboxylic acid ethyl ester28246-87-959 % similar Ethyl pivalate3938-95-253 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-953 % similar Diethyl bis(2-cyanoethyl)malonate1444-05-950 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-450 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-850 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl cyanoacetate1116-98-9 4,4-Dimethylpiperidine-2,6-dione1123-40-6 5,5-Dimethylpiperidine-2,4-dione118263-81-3 2-Methylpropyl 2-cyanoacetate13361-31-4 T-Butyl isocyanoacetate2769-72-4 1-Acetyl-4-piperidone32161-06-1 Arecaidine499-04-7 Acryloylmorpholine5117-12-4

Elsewhere

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