Ethyl 2-(1H-imidazol-1-yl)acetate

C7H10N2O2CAS 17450-34-9154.17 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C7H10N2O2
Molar mass
154.17 g/mol
Exact mass
154.0742 Da
logP
0.45Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17450-34-9
SMILES
CCOC(=O)CN1C=CN=C1
InChIKey
OITZNDMCFHYWLX-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2/c1-2-11-7(10)5-9-4-3-8-6-9/h3-4,6H,2,5H2,1H3

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Names and synonyms

1 names
  • Ethyl 1H-imidazole-1-acetate

Work with Ethyl 2-(1H-imidazol-1-yl)acetate

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

1H-Imidazole-1-acetic acid22884-10-249 % similar Ethyl 4-pyridineacetate54401-85-345 % similar 1H-Imidazole-1-acetic acid hydrochloride87266-37-345 % similar 1-Ethylimidazole7098-07-944 % similar Ethyl iodoacetate623-48-343 % similar Diethyl malonate105-53-342 % similar Diethyl succinate123-25-142 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-9 Ethyl 1-methylimidazole-2-carboxylate30148-21-1

Elsewhere

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