2-Ethoxyethyl 2-cyanoacetate

C₇H₁₁NO₃CAS 32804-77-6157.17 g/mol

Open in Covalent MOL file

Ester Ether Nitrile

Properties

Molecular formula: C₇H₁₁NO₃
Molar mass: 157.17 g/mol
Exact mass: 157.0739 Da
logP: 0.48Crippen estimate
Polar surface area: 59.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled90.4% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 115 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

32804-77-6

SMILES

CCOCCOC(=O)CC#N

InChIKey

UMCLCZMPTREESK-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO3/c1-2-10-5-6-11-7(9)3-4-8/h2-3,5-6H2,1H3

Weigh it out

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

Names and synonyms

4 names

Acetic acid, 2-cyano-, 2-ethoxyethyl ester
Acetic acid, cyano-, 2-ethoxyethyl ester
Cyanoacetic acid, 2-ethoxyethyl ester
2-Ethoxyethyl cyanoacetate

Work with 2-Ethoxyethyl 2-cyanoacetate

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

Ethyl cyanoacetate105-56-672 % similar Propyl cyanoacetate14447-15-568 % similar Butyl cyanoacetate5459-58-564 % similar 2-Methoxyethyl cyanoacetate10258-54-563 % similar Bis(2-ethoxyethyl) adipate109-44-459 % similar 2-Methylpropyl 2-cyanoacetate13361-31-451 % similar Methyl cyanoacetate105-34-050 % similar 2-Ethoxyethyl acetate111-15-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-2 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4 N-Acetyl-D-proline59785-68-1

Elsewhere

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