3-Methoxypropionitrile
Properties
- Molecular formula
- C4H7NO
- Molar mass
- 85.11 g/mol
- Exact mass
- 85.0528 Da
- Density
- 0.942 g/mL (at 20 °C)
- Boiling point
- 163 °C
- logP
- 0.55Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation24.1% of notifiers
- H319 Causes serious eye irritation98.2% of notifiers
- H335 May cause respiratory irritation29.4% of notifiers
Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
110-67-8SMILES
COCCC#NInChIKey
OOWFYDWAMOKVSF-UHFFFAOYSA-NInChI
InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Propanenitrile, 3-methoxy-
- Propionitrile, 3-methoxy-
- 3-Methoxypropanenitrile
- 1-Cyano-2-methoxyethane
- 2-Cyanoethyl methyl ether
- β-Methoxypropionitrile
- Methyl β-cyanoethyl ether
- 1-Methoxy-2-cyanoethane
- NSC 4090
- NSC 61486
Work with 3-Methoxypropionitrile
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) ether1656-48-055 % similar
Methoxyacetonitrile1738-36-952 % similar
3-Ethoxypropanenitrile2141-62-050 % similar
2-Methoxyethyl cyanoacetate10258-54-545 % similar
Succinonitrile110-61-244 % similar
Dimethoxyethane110-71-444 % similar
Polyethylene glycol dimethyl ether24991-55-744 % similar
3-Butoxypropanenitrile6959-71-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds