chempirical

N-Nitrosodiethylamine

C4H10N2OCAS 55-18-5102.14 g/mol

Open in Covalent MOL file
NNO
Tertiary amine

Properties

Molecular formula
C4H10N2O
Molar mass
102.14 g/mol
Exact mass
102.0793 Da
Density
0.9422 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
175–177 °C
logP
1.01Crippen estimate
Polar surface area
32.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
55-18-5
SMILES
CCN(CC)N=O
InChIKey
WBNQDOYYEUMPFS-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanamine, N-ethyl-N-nitroso-
  • Diethylamine, N-nitroso-
  • N-Ethyl-N-nitrosoethanamine
  • DENA
  • Diethylnitrosamine
  • Diethylnitrosoamine
  • Nitrosodiethylamine
  • Diethylnitrosamide
  • N,N-Diethylnitrosoamine
  • N-Nitroso-N,N-diethylamine
  • DEN
  • DEN (mutagen)
  • NDEA
  • NSC 132

Work with N-Nitrosodiethylamine

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-Nitrosodipropylamine621-64-752 % similar N-Nitrosodibutylamine924-16-348 % similar N-Nitrosopyrrolidine930-55-245 % similar N-Nitrosopiperidine100-75-443 % similar Dinitrosopentamethylenetetramine101-25-743 % similar Enu759-73-939 % similar N-Nitrosodiethanolamine1116-54-739 % similar 2,2′-(Nitrosoimino)bis[acetonitrile]16339-18-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Acetylethylenediamine1001-53-2 (2S)-2-Aminobutyramide143164-46-9 Butanoic acid hydrazide3538-65-6 Isobutyrohydrazide3619-17-8 4-Morpholinamine4319-49-7 Propylurea627-06-5

Elsewhere

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