Imidazole-1-ethanol

C₅H₈N₂OCAS 1615-14-1112.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₂O
Molar mass: 112.13 g/mol
Exact mass: 112.0637 Da
Melting point: 39 °C
Boiling point: 202–206 °C (at 20 Torr)
logP: -0.12Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1615-14-1

SMILES

OCCn1ccnc1

InChIKey

AMSDWLOANMAILF-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O/c8-4-3-7-2-1-6-5-7/h1-2,5,8H,3-4H2

Weigh it out

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

Names and synonyms

11 names

1H-Imidazole-1-ethanol
1-(β-Hydroxyethyl)imidazole
1-(2-Hydroxyethyl)imidazole
2-(1′-Imidazolyl)ethanol
2-(Imidazol-1-yl)ethanol
N-(2-Hydroxyethyl)imidazole
N-(2-Hydroxyethyl)-1H-imidazole
1-(2′-Hydroxyethyl)imidazole
2-(1H-Imidazol-1-yl)ethanol
1-(2-Hydroxyethyl)-1H-imidazole
2-(1H-Imidazol-1-yl)ethan-1-ol

Work with Imidazole-1-ethanol

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

1-Propylimidazole35203-44-256 % similar Butylimidazole4316-42-152 % similar 1H-Imidazole-1-propanamine5036-48-652 % similar 3-Imidazol-1-yl-propionic acid18999-45-650 % similar 1-(2-Phenylethyl)-1H-imidazole49823-14-548 % similar 1-Ethylimidazole7098-07-948 % similar 1-(2-Imidazol-1-yl-ethyl)-piperazine381721-55-745 % similar 1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-545 % 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 Ethyl N-cyanoacetimidate1558-82-3 (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

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