Diethylacetoacetamide
Properties
- Molecular formula
- C8H15NO2
- Molar mass
- 157.21 g/mol
- Exact mass
- 157.1103 Da
- Density
- 0.995 g/mL (at 20 °C)
- Boiling point
- 126–127 °C
- Flash point
- 121 °C
- Water solubility
- soluble
- logP
- 0.83Crippen estimate
- Polar surface area
- 37.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Not classified as hazardous under GHS by 267 ECHA notifiers. Aggregated from 267 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
2235-46-3SMILES
CCN(CC)C(=O)CC(C)=OInChIKey
NTMXFHGYWJIAAE-UHFFFAOYSA-NInChI
InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Butanamide, N,N-diethyl-3-oxo-
- Acetoacetamide, N,N-diethyl-
- N,N-Diethyl-3-oxobutanamide
- N,N-Diethylacetoacetamide
- 1-(Diethylcarbamoyl)-2-propanone
- N,N-Diethylacetylacetamide
- Promotor C
- N-Diethylacetoacetamide
Work with Diethylacetoacetamide
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
Dimethylacetoacetamide2044-64-662 % similar
Diethylpropionamide1114-51-854 % similar
Chloro-N,N-diethylacetamide2315-36-852 % similar
Acetylacetone123-54-648 % similar
2-Cyano-N,N-diethylacetamide26391-06-045 % similar
N,N-Diethylacetamide685-91-644 % similar
N,N-Diethyldodecanamide3352-87-244 % similar
N-Ethyl-2-pyrrolidone2687-91-443 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.