3-Ethoxypropanenitrile

C₅H₉NOCAS 2141-62-099.13 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₅H₉NO
Molar mass: 99.13 g/mol
Exact mass: 99.0684 Da
Density: 0.8904 g/mL (at 20 °C)
Melting point: 48.9 °C
Boiling point: 171 °C
logP: 0.94Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H227 Combustible liquid16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

2141-62-0

SMILES

CCOCCC#N

InChIKey

DCWQZPJHHVLHSV-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3

Weigh it out

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

Names and synonyms

7 names

Propanenitrile, 3-ethoxy-
Propionitrile, 3-ethoxy-
Propionitrile, β-ethoxy-
β-Ethoxypropionitrile
3-Ethoxypropionitrile
Ethyl β-cyanoethyl ether
NSC 7767

Reactions

β-ETHOXYPROPIONITRILE (Propionitrile, β-ethoxy-)product

Work with 3-Ethoxypropanenitrile

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

Bis(2-cyanoethyl) ether1656-48-065 % similar 3-Butoxypropanenitrile6959-71-358 % similar 3-Methoxypropionitrile110-67-850 % similar Ethylene glycol diethyl ether629-14-150 % similar 2-Ethoxyethyl 2-cyanoacetate32804-77-648 % similar Diethylene glycol diethyl ether112-36-748 % similar 3,3′,3′′-[1,2,3-Propanetriyltris(oxy)]tris[propanenitrile]2465-93-246 % similar (2-Cyanoethyl)triethoxysilane919-31-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethyl-2-oxazoline10431-98-8 Butyl isocyanate111-36-4 4-Amino-3-penten-2-one1118-66-7 Cyclopentanone oxime1192-28-5 tert-Butyl isocyanate1609-86-5 N,N-Dimethylacrylamide2680-03-7 N-Methyl-N-vinylacetamide3195-78-6 1-Pyrrolidinecarboxaldehyde3760-54-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook