2-Butyl-1H-imidazole

C7H12N2CAS 50790-93-7124.19 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C7H12N2
Molar mass
124.19 g/mol
Exact mass
124.1000 Da
logP
1.75Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
50790-93-7
SMILES
CCCCC1=NC=CN1
InChIKey
SLLDUURXGMDOCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2/c1-2-3-4-7-8-5-6-9-7/h5-6H,2-4H2,1H3,(H,8,9)

Weigh it out

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Names and synonyms

1 names
  • 2-Buthylimidazole

Work with 2-Butyl-1H-imidazole

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-Undecylimidazole16731-68-385 % similar 2-Heptadecylimidazole23328-87-285 % similar 2-Propylimidazole50995-95-477 % similar 2-Ethylimidazole1072-62-457 % similar 1H-Imidazole-2-methanol3724-26-347 % similar 2-Aminomethyl-1H-imidazole53332-80-247 % similar 2-Butyl-5-hydroxymethylimidazole68283-19-243 % similar 1H-Imidazol-2-ylmethylamine dihydrochloride22600-77-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrrolidine-1-propiononitrile26165-45-7 1,5-Diazabicyclo[4.3.0]non-5-ene3001-72-7 1-Piperidineacetonitrile3010-03-5 1-Propyl-2-methylimidazole33214-18-5 Butylimidazole4316-42-1 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-1

Elsewhere

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