Butyraldoxime
Properties
- Molecular formula
- C4H9NO
- Molar mass
- 87.12 g/mol
- Exact mass
- 87.0684 Da
- Density
- 0.906 g/mL (at 204 °C)
- Melting point
- −29.5 °C
- Boiling point
- 154 °C
- Flash point
- 57.8 °C
- Water solubility
- < 1 g/L (20 °C)
- logP
- 1.25Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H319 Causes serious eye irritationSerious eye damage/eye irritation
Harmonised EU classification (CLP Annex VI, index 616-013-00-5), via PubChem.
Precautionary statements
P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P405, P501
Identifiers
CAS number
110-69-0SMILES
CCCC=NOInChIKey
KGGVGTQEGGOZRN-UHFFFAOYSA-NInChI
InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Butanal, oxime
- Butyraldehyde, oxime
- n-Butyraldoxime
- Butylaldoxime
- Butanaldoxime
- n-Butylaldoxime
- NSC 1487
Work with Butyraldoxime
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
trans-4-Octene14850-23-840 % similar
cis-4-Octene7642-15-140 % similar
cis-2-Hexen-1-ol928-94-936 % similar
2-Hexen-1-ol928-95-036 % similar
Pentene109-67-135 % similar
Butyraldehyde123-72-835 % similar
trans-2-Hexene4050-45-735 % similar
Hex-2-ene592-43-835 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.