Methyl N-cyanoacetimidate

C4H6N2OCAS 5652-84-698.11 g/mol

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ONN
Nitrile

Properties

Molecular formula
C4H6N2O
Molar mass
98.11 g/mol
Exact mass
98.0480 Da
Boiling point
98–99 °C (at 25 Torr)
logP
0.53Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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
5652-84-6
SMILES
COC(C)=NC#N
InChIKey
LILTZUFNZDRURN-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3

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Names and synonyms

4 names
  • Ethanimidic acid, N-cyano-, methyl ester
  • Acetimidic acid, N-cyano-, methyl ester
  • Methyl N-cyanoacetamidate
  • N-Cyanoethanimidic acid methyl ester

Work with Methyl N-cyanoacetimidate

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

Ethyl N-cyanoacetimidate1558-82-354 % similar Dimethyl N-cyanodithioiminocarbonate10191-60-336 % similar Methyl cyanoformate17640-15-231 % similar Diphenyl cyanocarbonimidate79463-77-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-5-methylisoxazole1072-67-9 3-Methyl-2-pyrazolin-5-one108-26-9 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-3 5-Amino-3-methylisoxazole14678-02-5 (1H-Pyrazol-3-yl)methanol23585-49-1 1H-Pyrazole-4-methanol25222-43-9 1-Methyl-1H-pyrazol-5-ol33641-15-5 2-Amino-4-methyloxazole35629-70-0

Elsewhere

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