chempirical

Butyraldoxime

C4H9NOCAS 110-69-087.12 g/mol

Open in Covalent MOL file
NOH
Alcohol

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
logP
1.25Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
110-69-0
SMILES
CCCC=NO
InChIKey
KGGVGTQEGGOZRN-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-2-3-4-5-6/h4,6H,2-3H2,1H3

Weigh 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

Same formula

(+)-3-Pyrrolidinol100243-39-8 1-Aziridineethanol1072-52-2 Morpholine110-91-8 N-Methylpropionamide1187-58-2 Dimethylacetamide127-19-5 (-)-3-Pyrrolidinol2799-21-5 3-Pyrrolidinol40499-83-0 Butyramide541-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook