chempirical

N,N′-Diethylurea

C5H12N2OCAS 623-76-7116.16 g/mol

Open in Covalent MOL file
NHONH

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

Identifiers

CAS number
623-76-7
SMILES
CCN=C(O)NCC
InChIKey
ZWAVGZYKJNOTPX-UHFFFAOYSA-N
InChI
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. All similar compounds

Same formula

tert-Butylurea1118-12-3 Morpholin-2-yl-methylamine116143-27-2 3-Amino-2,2-dimethylpropanamide324763-51-1 Valeric acid hydrazide38291-82-6 2,2-Dimethylpropanoic acid hydrazide42826-42-6 Isobutylurea592-17-6 Butylurea592-31-4 Tetramethylurea632-22-4

Elsewhere

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