2-Butyl-5-hydroxymethylimidazole

C₈H₁₄N₂OCAS 68283-19-2154.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄N₂O
Molar mass: 154.21 g/mol
Exact mass: 154.1106 Da
logP: 1.24Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

68283-19-2

SMILES

CCCCC1=NC=C(N1)CO

InChIKey

UZKBZGAMRJRWLR-UHFFFAOYSA-N

InChI

InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)

Weigh it out

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

Work with 2-Butyl-5-hydroxymethylimidazole

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-Butyl-1H-imidazole-5-carboxaldehyde68282-49-551 % similar 2-Butyl-5-chloro-1H-imidazole-4-methanol79047-41-946 % similar 2-Butyl-1H-imidazole50790-93-743 % similar 2-Undecylimidazole16731-68-338 % similar 2-Heptadecylimidazole23328-87-238 % similar 5-Butyl-2-chloropyrimidine847227-37-637 % similar 2-Pentyl-1H-benzimidazole5851-46-735 % similar 2-Heptylbenzimidazole5851-49-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,8-Diazaspiro(4.5)decan-3-one561314-57-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook