1-Ethoxymethyl-2-iodoimidazole

C₆H₉IN₂OCAS 146697-87-2252.06 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆H₉IN₂O
Molar mass: 252.06 g/mol
Exact mass: 251.9760 Da
logP: 1.48Crippen estimate
Polar surface area: 27.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

146697-87-2

SMILES

CCOCN1C=CN=C1I

InChIKey

YISOPKRYYGYKJQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3

Weigh it out

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

Work with 1-Ethoxymethyl-2-iodoimidazole

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

2-Bromo-1-ethoxymethylimidazole850429-54-860 % similar 2-Iodo-1-methyl-1H-imidazole37067-95-141 % similar N-Ethyl-2-methylimidazole21202-52-835 % similar 1-Propyl-2-methylimidazole33214-18-533 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-832 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook