3-Hydroxypropionitrile

C₃H₅NOCAS 109-78-471.08 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₃H₅NO
Molar mass: 71.08 g/mol
Exact mass: 71.0371 Da
Density: 1.0404 g/mL (at 25 °C)
Melting point: −46 °C
Boiling point: 221 °C
Flash point: 129.4 °C (open cup)
Water solubility: miscible
logP: -0.11Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation24.6% of notifiers
H319 Causes serious eye irritation24.6% of notifiers
H335 May cause respiratory irritation24.1% of notifiers

Aggregated from 191 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

109-78-4

SMILES

N#CCCO

InChIKey

WSGYTJNNHPZFKR-UHFFFAOYSA-N

InChI

InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2

Weigh it out

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

Names and synonyms

15 names · show all

Propanenitrile, 3-hydroxy-
Hydracrylonitrile
3-Hydroxypropanenitrile
2-Cyanoethanol
Ethylene cyanohydrin
Glycol cyanohydrin
β-Hydroxypropionitrile
2-Cyanoethyl alcohol
2-Hydroxycyanoethane
β-Cyanoethanol
2-Hydroxyethyl cyanide
1-Cyano-2-hydroxyethane
β-Hydroxyethyl cyanide
NSC 2598
Ethylene cyanhydrine

Reactions

ETHYLENE CYANOHYDRIN (Hydracrylonitrile)product

Work with 3-Hydroxypropionitrile

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

Succinonitrile110-61-253 % similar Adiponitrile111-69-347 % similar Glutaronitrile544-13-847 % similar Glycolonitrile107-16-444 % similar Nonanedinitrile1675-69-044 % similar Sebaconitrile1871-96-144 % similar Dodecanedinitrile4543-66-244 % similar Octanedinitrile629-40-344 % similar

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

Same formula

Ethyl isocyanate109-90-0 Methoxyacetonitrile1738-36-9 Lactonitrile78-97-7 Acrylamide79-06-1 Polyacrylamide9003-05-8 2-Azetidinone930-21-2

Elsewhere

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