chempirical

Butylimidazole

C7H12N2CAS 4316-42-1124.19 g/mol

Open in Covalent MOL file
NN

Properties

Molecular formula
C7H12N2
Molar mass
124.19 g/mol
Exact mass
124.1000 Da
Boiling point
114–116 °C (at 13 Torr)
logP
1.68Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
4316-42-1
SMILES
CCCCn1ccnc1
InChIKey
MCMFEZDRQOJKMN-UHFFFAOYSA-N
InChI
InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1H-Imidazole, 1-butyl-
  • Imidazole, 1-butyl-
  • 1-Butyl-1H-imidazole
  • 1-Butylimidazole
  • N-Butylimidazole
  • N-Butyl-1H-imidazole
  • NSC 158165
  • N-(n-Butyl)imidazole
  • 1-n-Butylimidazole
  • N-Butylimidazolium

Work with Butylimidazole

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-Propylimidazole35203-44-276 % similar 1H-Imidazole-1-propanamine5036-48-659 % similar 1-Ethylimidazole7098-07-956 % similar Imidazole-1-ethanol1615-14-152 % similar 1-Allylimidazole31410-01-241 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-840 % similar 1-Benzylimidazole4238-71-538 % similar 1-Butyl-3-methylimidazolium chloride79917-90-138 % similar

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

Same formula

1-Pyrrolidinepropanenitrile26165-45-7 1,5-Diazabicyclo(4.3.0)non-5-ene3001-72-7 1-Piperidineacetonitrile3010-03-5 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook