Acetaldoxime
Properties
- Molecular formula
- C2H5NO
- Molar mass
- 59.07 g/mol
- Exact mass
- 59.0371 Da
- Density
- 0.9656 g/mL (at 20 °C)
- Melting point
- 47 °C
- Boiling point
- 114.5 °C
- Flash point
- 22 °C
- Water solubility
- very soluble
- logP
- 0.47Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor99.5% of notifiers
- H302 Harmful if swallowed82.6% of notifiers
- H319 Causes serious eye irritation82.6% of notifiers
- H332 Harmful if inhaled30.1% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure47.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects50.2% of notifiers
Aggregated from 219 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
107-29-9SMILES
CC=NOInChIKey
FZENGILVLUJGJX-UHFFFAOYSA-NInChI
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Acetaldehyde, oxime
- Aldoxime
- Ethylidenehydroxylamine
- Ethanal oxime
- Acetoaldoxime
- NSC 4974
Work with Acetaldoxime
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
Glyoxime557-30-240 % similar
Butyraldoxime110-69-032 % similar
Methylglyoxime1804-15-530 % similar
2-Oxopropanal 1-oxime306-44-530 % similar
Isonitrosoacetone31915-82-930 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds