Ethyl N-cyanoacetimidate

C5H8N2OCAS 1558-82-3112.13 g/mol

Open in Covalent MOL file
ONN
Nitrile

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
logP
0.92Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1558-82-3
SMILES
CCOC(=NC#N)C
InChIKey
PLVWUINOWYHRAA-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-3-8-5(2)7-4-6/h3H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl N-cyanoethanimideate

Work with Ethyl 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

Methyl N-cyanoacetimidate5652-84-654 % similar Ethyl N-hydroxyethanimidate10576-12-248 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-341 % similar Ethyl cyanoformate623-49-438 % similar Ethyl 2-(acetylamino)-2-cyanoacetate4977-62-236 % similar Ethyl cyanoacetate105-56-635 % similar Ethyl acetate141-78-633 % similar Ethyl cyanohydroxyiminoacetate3849-21-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1 4-Amino-3,5-dimethylisoxazole31329-64-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook