N-Nitrosodiethanolamine

C4H10N2O3CAS 1116-54-7134.14 g/mol

ONNHOOH
AlcoholTertiary amine

Properties

Molecular formula
C4H10N2O3
Molar mass
134.14 g/mol
Exact mass
134.0691 Da
Melting point
200 °C (decomposes)
Boiling point
114 °C (at 1.4 Torr)
logP
-1.05Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
1116-54-7
SMILES
O=NN(CCO)CCO
InChIKey
YFCDLVPYFMHRQZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2

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

Names and synonyms

9 names
  • Ethanol, 2,2′-(nitrosoimino)bis-
  • Ethanol, 2,2′-nitrosiminodi-
  • 2,2′-(Nitrosoimino)bis[ethanol]
  • Diethanolnitrosamine
  • Nitrosodiethanolamine
  • N,N-Diethanolnitrosamine
  • N-Nitrosobis(2-hydroxyethyl)amine
  • NDELA
  • 2-[(2-Hydroxyethyl)(nitroso)amino]ethan-1-ol

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Similar compounds

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

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