chempirical

Methoxyacetonitrile

C3H5NOCAS 1738-36-971.08 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C3H5NO
Molar mass
71.08 g/mol
Exact mass
71.0371 Da
Density
0.9373 g/mL (at 28 °C)
Melting point
97 °C
Boiling point
119 °C
logP
0.16Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
1738-36-9
SMILES
COCC#N
InChIKey
QKPVEISEHYYHRH-UHFFFAOYSA-N
InChI
InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Acetonitrile, 2-methoxy-
  • Acetonitrile, methoxy-
  • 2-Methoxyacetonitrile
  • Formaldehyde cyanohydrin methyl ether
  • Methoxymethyl cyanide
  • Cyanomethyl methyl ether
  • Methoxyethanenitrile
  • NSC 26905

Reactions

Work with Methoxyacetonitrile

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

3-Methoxypropionitrile110-67-852 % similar 4-Methoxyphenoxyacetonitrile22446-12-439 % similar 2-Methoxyethyl cyanoacetate10258-54-538 % similar 3,3-Dimethoxypropionitrile57597-62-338 % similar Methylthioacetonitrile35120-10-636 % similar Propionitrile107-12-035 % similar 4,4-Dimethoxybutanenitrile14618-78-135 % similar Phenoxyacetonitrile3598-14-935 % similar

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

Same formula

3-Hydroxypropionitrile109-78-4 Ethyl isocyanate109-90-0 Lactonitrile78-97-7 Acrylamide79-06-1 Polyacrylamide9003-05-8 2-Azetidinone930-21-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook