2,2'-(Nitrosoimino)bis(acetonitrile)

C4H4N4OCAS 16339-18-7124.10 g/mol

Open in Covalent MOL file
NNNNO
NitrileTertiary amine

Properties

Molecular formula
C4H4N4O
Molar mass
124.10 g/mol
Exact mass
124.0385 Da
Melting point
38–38.5 °C
Boiling point
157 °C (at 3 Torr)
logP
0.02Crippen estimate
Polar surface area
80.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
16339-18-7
SMILES
N#CCN(CC#N)N=O
InChIKey
KQKDJPIPZMNIDQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N4O/c5-1-3-8(7-9)4-2-6/h3-4H2

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Names and synonyms

5 names
  • 2,2′-(Nitrosoimino)bis[acetonitrile]
  • Acetonitrile, 2,2′-(nitrosoimino)bis-
  • Acetonitrile, nitrosiminodi-
  • N-Nitrosodi(cyanomethyl)amine
  • 2-[(Cyanomethyl)(nitroso)amino]acetonitrile

Work with 2,2'-(Nitrosoimino)bis(acetonitrile)

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

N-Nitrosopyrrolidine930-55-239 % similar N-Nitrosopiperidine100-75-438 % similar Dinitrosopentamethylenetetramine101-25-738 % similar N-Nitrosodiethylamine55-18-538 % similar Dimethylaminoacetonitrile926-64-738 % similar Pyrrolidine-1-acetonitrile29134-29-036 % similar N-Nitrosodiethanolamine1116-54-735 % similar 2-(Diethylamino)acetonitrile3010-02-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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