2,2′-(Nitrosoimino)bis[acetonitrile]

C₄H₄N₄OCAS 16339-18-7124.10 g/mol

Open in Covalent MOL file

Nitrile Tertiary 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 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

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

Weigh it out

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

Names and synonyms

4 names

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 (Dimethylamino)acetonitrile926-64-738 % similar 1-Pyrrolidineacetonitrile29134-29-036 % similar N-Nitrosodiethanolamine1116-54-735 % similar 1-Piperidineacetonitrile3010-03-535 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook