Deuterated acetone
Properties
- Molecular formula
- C3D6O
- Molar mass
- 64.12 g/mol
- Exact mass
- 64.0795 Da
- Density
- 0.8749 g/mL (at 20 °C)
- Melting point
- −98.3 °C
- Boiling point
- 55.5 °C
- logP
- 0.60Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H319 Causes serious eye irritation92.2% of notifiers
- H336 May cause drowsiness or dizziness94.1% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
666-52-4SMILES
[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]InChIKey
CSCPPACGZOOCGX-WFGJKAKNSA-NInChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2-Propanone-1,1,1,3,3,3-d6
- Acetone-d6
- Hexadeuterioacetone
- Hexadeuteroacetone
- Perdeuterioacetone
- 2-Propanone-d6
- Perdeuteroacetone
- 1,1,1,3,3,3-Hexadeutero-2-propanone
- 1,1,1,3,3,3-Hexadeuteriopropan-2-one
Work with Deuterated acetone
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
Tanimoto similarity of circular fingerprints over the whole catalogue.