N,N′-Diethylurea
Properties
- Molecular formula
- C5H12N2O
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0950 Da
- Melting point
- 112.5 °C
- Boiling point
- 263 °C
- logP
- 0.53Crippen estimate
- Polar surface area
- 44.6 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
623-76-7SMILES
CCN=C(O)NCCInChIKey
ZWAVGZYKJNOTPX-UHFFFAOYSA-NInChI
InChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Urea, N,N′-diethyl-
- Urea, 1,3-diethyl-
- 1,3-Diethylurea
- Sym-Diethylurea
- NSC 429
Work with N,N′-Diethylurea
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
N,N'-Diethylthiourea105-55-550 % similar
2-Imidazolidinone120-93-442 % similar
Ethylacetamide625-50-341 % similar
Ethylurea625-52-541 % similar
Dibutylurea1792-17-241 % similar
Tetrahydro-2(1H)-pyrimidinone1852-17-139 % similar
Bis(hydroxymethyl)urea140-95-437 % similar
1,3-Bis[3-(dimethylamino)propyl]urea52338-87-133 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.