Dimethylglyoxime
Properties
- Molecular formula
- C4H8N2O2
- Molar mass
- 116.12 g/mol
- Exact mass
- 116.0586 Da
- Melting point
- 245.5 °C
- Boiling point
- 249–295 °C
- logP
- 0.69Crippen estimate
- Polar surface area
- 65.2 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
Hazards
Danger
- H228 Flammable solid86.9% of notifiers
- H301 Toxic if swallowed82% of notifiers
Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P264, P270, P280, P301+P316, P321, P330, P370+P378, P405, P501
Identifiers
CAS number
95-45-4SMILES
CC(=NO)C(C)=NOInChIKey
JGUQDUKBUKFFRO-UHFFFAOYSA-NInChI
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h7-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2,3-Butanedione, 2,3-dioxime
- 2,3-Butanedione, dioxime
- Diacetyl dioxime
- 2,3-Diisonitrosobutane
- Chugaev's reagent
- Biacetyl dioxime
- Reagents, chugaev's
- NSC 9
Reactions
Work with Dimethylglyoxime
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,3-Butanedione monoxime57-71-658 % similar
Acetone oxime127-06-050 % similar
Acetohydroxamic acid546-88-344 % similar
2,4-Pentanedione oxime2157-56-442 % similar
1-Phenyl-1,2-propanedione 2-oxime119-51-741 % similar
Pinacolone oxime2475-93-638 % similar
Methylethyl ketone oxime96-29-738 % similar
Methylglyoxime1804-15-536 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.