1-Butyl-2-methyl-1H-imidazole

C8H14N2CAS 13435-22-8138.21 g/mol

Open in Covalent MOL file
NN

Properties

Molecular formula
C8H14N2
Molar mass
138.21 g/mol
Exact mass
138.1157 Da
logP
1.99Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
13435-22-8
SMILES
CCCCn1ccnc1C
InChIKey
WHLZPGRDRYCVRQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N2/c1-3-4-6-10-7-5-9-8(10)2/h5,7H,3-4,6H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • 1H-Imidazole, 1-butyl-2-methyl-
  • Imidazole, 1-butyl-2-methyl-
  • 1-Butyl-2-methylimidazole
  • 1-n-Butyl-2-methylimidazole
  • N-Butyl-2-methylimidazole
  • NH 119
  • NSC 200686
  • 1-n-Butyl-2-methyl-1H-imidazole

Work with 1-Butyl-2-methyl-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

1-Propyl-2-methylimidazole33214-18-579 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-166 % similar N-Ethyl-2-methylimidazole21202-52-860 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-259 % similar 1-Cyanoethyl-2-methylimidazole23996-55-654 % similar 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-950 % similar 1-Benzyl-2-methylimidazole13750-62-447 % similar 1,2-Dimethylimidazole1739-84-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Piperidinepropanenitrile3088-41-3 1-Pyrrolidinebutanenitrile35543-25-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook