Piperazine-2,3-dione

C₄H₆N₂O₂CAS 13092-86-9114.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₂O₂
Molar mass: 114.10 g/mol
Exact mass: 114.0429 Da
logP: -1.77Crippen estimate
Polar surface area: 58.2 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P337+P317, P342+P316, P403, P501

Identifiers

CAS number

13092-86-9

SMILES

C1CNC(=O)C(=O)N1

InChIKey

JTHRRMFZHSDGNJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2O2/c7-3-4(8)6-2-1-5-3/h1-2H2,(H,5,7)(H,6,8)

Weigh it out

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

Names and synonyms

1 names

2,3-Piperazinedione

Work with Piperazine-2,3-dione

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

N1,N2-Bis(2-hydroxyethyl)ethanediamide1871-89-261 % similar N1,N2-Diethylethanediamide615-84-950 % similar 2-Imidazolidone hemihydrate121325-67-542 % similar 1-Ethyl-2,3-piperazinedione59702-31-737 % similar N,N'-Ethylenebisacrylamide2956-58-336 % similar 1,4-Diazepan-5-one34376-54-036 % similar Tetrahydrophthalimide27813-21-433 % similar N1,N2-Dimethylethanediamide615-35-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Diketopiperazine106-57-0 Piperazine-2,6-dione4774-22-5 Dihydrouracil504-07-4 5-Methylhydantoin616-03-5 1-Methylhydantoin616-04-6 Ethyl diazoacetate623-73-4 Fumaramide627-64-5

Elsewhere

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