N-Methyldiacetamide
Properties
- Molecular formula
- C5H9NO2
- Molar mass
- 115.13 g/mol
- Exact mass
- 115.0633 Da
- Density
- 1.0904 g/mL (at 0 °C)
- Melting point
- −25 °C
- Boiling point
- 195 °C
- logP
- 0.01Crippen estimate
- Polar surface area
- 37.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
1113-68-4SMILES
CC(=O)N(C)C(C)=OInChIKey
ZNQFZPCFVNOXJQ-UHFFFAOYSA-NInChI
InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Acetamide, N-acetyl-N-methyl-
- Diacetamide, N-methyl-
- N-Acetyl-N-methylacetamide
- Diacetylmethylamine
Work with N-Methyldiacetamide
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
Dimethylacetamide127-19-556 % similar
Tetraacetylethylenediamine10543-57-445 % similar
N-Methyl-N-(trimethylsilyl)acetamide7449-74-343 % similar
N-Methoxy-N-methylacetamide78191-00-143 % similar
N-Methyl-N-vinylacetamide3195-78-642 % similar
1,4-Diacetyl-2,5-piperazinedione3027-05-241 % similar
N-Acetylpyrrolidine4030-18-641 % similar
N,N-Diethylacetamide685-91-641 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds