Dimethadione

C₅H₇NO₃CAS 695-53-4129.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇NO₃
Molar mass: 129.12 g/mol
Exact mass: 129.0426 Da
Melting point: 76.5 °C
logP: 0.87Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed69.6% of notifiers
H312 Harmful in contact with skin68.8% of notifiers
H319 Causes serious eye irritation39.1% of notifiers
H332 Harmful if inhaled68.8% of notifiers
H351 Suspected of causing cancer29% of notifiers

Aggregated from 138 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

695-53-4

SMILES

CC1(C)OC(=O)N=C1O

InChIKey

JYJFNDQBESEHJQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)

Weigh it out

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

Names and synonyms

12 names

2,4-Oxazolidinedione, 5,5-dimethyl-
5,5-Dimethyl-2,4-oxazolidinedione
AC 1198
BAY 1400Z
DMO
Eupractone
Dimethadion
5,5-Dimethyloxazolidinedione
Nortrimethadione
BAX 1400Z
NSC 30152
5,5-Dimethyl-1,3-oxazolidine-2,4-dione

Work with Dimethadione

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

Di-tert-butyl-iminodicarboxylate51779-32-947 % similar Boc-guanidine219511-71-439 % similar Di-tert-butyl azodicarboxylate870-50-837 % similar 1,5,5-Trimethyl-2,4-imidazolidinedione6851-81-634 % similar Bis(trifluoroacetyl)imide407-24-933 % similar N,N'-Bis-boc-1-guanylpyrazole152120-54-232 % similar Alloxantin76-24-431 % similar 1,3-Di-boc-2-methylisothiourea107819-90-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyroglutamic acid149-87-1 4-Acetoxy-2-azetidinone28562-53-0 Ethyl isocyanatoacetate2949-22-6 (+)-Pyroglutamic acid4042-36-8 2-Acetamidoacrylic acid5429-56-1 L-Pyroglutamic acid98-79-3

Elsewhere

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