Cyclohexanone oxime
Properties
- Molecular formula
- C6H11NO
- Molar mass
- 113.16 g/mol
- Exact mass
- 113.0841 Da
- Density
- 0.98 g/mL (at 804 °C)
- Melting point
- 89–90 °C
- Boiling point
- 206–210 °C
- Water solubility
- < 1 g/L (20 °C)
- logP
- 1.78Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid55% of notifiers
- H302 Harmful if swallowed98.1% of notifiers
- H319 Causes serious eye irritation55% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure55% of notifiers
- H412 Harmful to aquatic life with long lasting effects15.3% of notifiers
Aggregated from 262 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P319, P330, P337+P317, P370+P378, P501
Identifiers
CAS number
100-64-1SMILES
ON=C1CCCCC1InChIKey
VEZUQRBDRNJBJY-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Cyclohexanone, oxime
- Antioxidant D
- (Hydroxyimino)cyclohexane
- NSC 6300
- OxiKhim-Styrol
- Exkin III
- Borchinox C 3
Work with Cyclohexanone oxime
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
Cyclopentanone oxime1192-28-593 % similar
Nioxime492-99-953 % similar
Octanohydroxamic acid7377-03-941 % similar
Acetone oxime127-06-035 % similar
1-Bromo-N-hydroxymethanecarbonimidoyl bromide74213-24-435 % similar
2-Indanone oxime3349-63-135 % similar
Cuprizone370-81-035 % similar
Vorinostat149647-78-934 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.