chempirical

1-Benzyl-3-methylimidazolium chloride

C11H13ClN2CAS 36443-80-8208.69 g/mol

Open in Covalent MOL file
N+NCl−

Properties

Molecular formula
C11H13ClN2
Molar mass
208.69 g/mol
Exact mass
208.0767 Da
logP
-1.64Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
36443-80-8
SMILES
C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-]
InChIKey
FCRZSGZCOGHOGF-UHFFFAOYSA-M
InChI
InChI=1S/C11H13N2.ClH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1

Weigh it out

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

Work with 1-Benzyl-3-methylimidazolium chloride

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-Ethyl-3-methylimidazolium chloride65039-09-054 % similar 1-(2-Hydroxyethyl)-3-methylimidazolium chloride61755-34-850 % similar 1-Allyl-3-methylimidazolium chloride65039-10-349 % similar 1-Butyl-3-methylimidazolium chloride79917-90-149 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-546 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-646 % similar 1-Decyl-3-methylimidazolium chloride171058-18-746 % similar 1-Octyl-3-methylimidazolium chloride64697-40-146 % similar

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

Same formula

(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile hydrochloride661489-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook