chempirical

N,N-Diethylurea

C5H12N2OCAS 634-95-7116.16 g/mol

Open in Covalent MOL file
NNH2O

Properties

Molecular formula
C5H12N2O
Molar mass
116.16 g/mol
Exact mass
116.0950 Da
Melting point
75 °C
Boiling point
94–96 °C (at 0.02 Torr)
logP
0.82Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
634-95-7
SMILES
CCN(CC)C(=N)O
InChIKey
TUMNHQRORINJKE-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)

Weigh it out

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

Names and synonyms

5 names
  • Urea, N,N-diethyl-
  • Urea, 1,1-diethyl-
  • 1,1-Diethylurea
  • Asym-Diethylurea
  • NSC 165657

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Enu759-73-950 % similar N,N-Dimethylurea598-94-743 % similar 3-(Diethylamino)propanamide3813-27-238 % similar N,N,N′,N′-Tetraethylurea1187-03-738 % similar N,N-Diethylacetamide685-91-635 % similar N-Nitroso-N-methylurea684-93-534 % similar Diethylpropionamide1114-51-833 % similar Diethylcarbamoyl chloride88-10-833 % 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 N,N′-Diethylurea623-76-7

Elsewhere

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