2-Imidazolidone hemihydrate

C₆H₁₄N₄O₃CAS 121325-67-5190.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄N₄O₃
Molar mass: 190.20 g/mol
Exact mass: 190.1066 Da
logP: -2.23Crippen estimate
Polar surface area: 113.8 Å²
H-bond donors / acceptors: 4 / 2
Rotatable bonds: 0

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 109 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

121325-67-5

SMILES

C1CNC(=O)N1.C1CNC(=O)N1.O

InChIKey

KPRJGGOOWATRNT-UHFFFAOYSA-N

InChI

InChI=1S/2C3H6N2O.H2O/c2*6-3-4-1-2-5-3;/h2*1-2H2,(H2,4,5,6);1H2

Weigh it out

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

Work with 2-Imidazolidone hemihydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Imidazolidinone120-93-4Anhydrous

Similar compounds

Piperazine-2,3-dione13092-86-942 % similar 4-Piperidone hydrochloride hydrate320589-77-335 % similar Arpezine142-63-233 % similar Alloxantin dihydrate6011-27-433 % similar N,N'-Ethylenebisacrylamide2956-58-332 % similar 1,4-Diazepan-5-one34376-54-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook