Synonyms
methylethyl ketoxime; CTK0G7034; N-butan-2-ylidenehydroxylamine; 103055-EP2301918A1; butan-2-one oxime; ZINC242701543; 96-29-7; 2-Butanone, oxime; 2-Butanoneoxime; 2-Butanone, oxime, (E)-;
IUPAC Name
N-butan-2-ylidenehydroxylamine;
Molecular Weight
87.122g/mol
Molecular Formula
C4H9NO;
Canonical SMILES
CCC(=NO)C;
InChI
InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3;
InChI Key
WHIVNJATOVLWBW-UHFFFAOYSA-N;
Melting Point
-21.1 ° F (NTP, 1992);-29.5°C;-29.5 deg C;
Density
0.9232 at 68 ° F (NTP, 1992);0.9232 g/cu cm at 20 deg C;
Solubility
greater than or equal to 100 mg/mL at 72° F (NTP, 1992);1.15 M;In water, 100,000 mg/L at 25 deg C;Soluble in chloroform; miscible with ethanol and ether;
Color Form
Liquid;Colorless liquid;
Complexity
58.6
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomposition it emits toxic fumes of /oxides of nitrogen/.;
EC Number
202-496-6
Exact Mass
87.068g/mol
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
6
Monoisotopic Mass
87.068g/mol
Other Experimental
VP: 7.6 mm Hg at 50 deg C;Henry's Law constant = 1.22X10-6 atm-cu m/mol at 20 deg C (est);Hydroxyl radical reaction rate constant = 1.48X10-12 cu cm/molecule-sec at 25 deg C (est);
Rotatable Bond Count
1
Topological Polar Surface Area
32.6A^2
Undefined Bond Stereocenter Count
1
UN Number
1993
Vapor Pressure
22.6 mm Hg at 73 ° F ; 50.9 mm Hg at 118° F (NTP, 1992);1.06 mm Hg at 20 deg C;
