Trimethadione

C6H9NO3CAS 127-48-0143.14 g/mol

Open in Covalent MOL file
NOOO
AmideCarbamateLactam

Properties

Molecular formula
C6H9NO3
Molar mass
143.14 g/mol
Exact mass
143.0582 Da
Melting point
46 °C
Boiling point
78–80 °C (at 5 Torr)
logP
0.37Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, P501

Identifiers

CAS number
127-48-0
SMILES
CN1C(=O)OC(C)(C)C1=O
InChIKey
IRYJRGCIQBGHIV-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

26 names · show all
  • 2,4-Oxazolidinedione, 3,5,5-trimethyl-
  • 3,5,5-Trimethyl-2,4-oxazolidinedione
  • Epidione
  • Petidion
  • Petidon
  • Pitmal
  • Tridione
  • Tridone
  • Trimedal
  • Trimetadione
  • 3,3,5-Trimethyl-2,4-diketooxazolidine
  • Trimetin
  • Troxidone
  • Minoaleviatin
  • Trimethin
  • Tridion
  • Absentol
  • Ptimal
  • Edion
  • Trimethadion
  • Petilep
  • Epixal
  • Trioxanona
  • NSC 15799
  • NSC 169503
  • 3,5,5-Trimethyl-1,3-oxazolidine-2,4-dione

Work with Trimethadione

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methylbis(trifluoroacetyl)imide685-27-841 % similar 1-Boc-1-methylhydrazine21075-83-235 % similar 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-132 % similar 1-Boc-4-methylpiperazine53788-49-132 % similar tert-Butyl piperazine-1-carboxylate57260-71-632 % similar 2,2,2-Trifluoro-N,N-dimethylacetamide1547-87-132 % similar N-Boc-(methylamino)acetaldehyde123387-72-432 % similar tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxyethyl cyanoacetate10258-54-5 N-[2-Hydroxyethyl]succinimide18190-44-8 N-Methacryloylglycine23578-45-2 Valine N-carboxyanhydride24601-74-9 (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-4 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester35309-35-4 Methyl 2-acetamidoacrylate35356-70-8 6-Oxopiperidine-2-carboxylic acid3770-22-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook