1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride

C₂₁H₂₅ClN₂CAS 141556-45-8340.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₅ClN₂
Molar mass: 340.90 g/mol
Exact mass: 340.1706 Da
logP: 1.61Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.8% of notifiers

Aggregated from 81 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

141556-45-8

SMILES

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.[Cl-]

InChIKey

OTOSIXGMLYKKOW-UHFFFAOYSA-M

InChI

InChI=1S/C21H25N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h7-13H,1-6H3;1H/q+1;/p-1

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Work with 1,3-Bis(2,4,6-trimethylphenyl)imidazolium 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

1,3-Dimesitylimidazol-2-ylidene141556-42-544 % similar 1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride250285-32-643 % similar Di-μ-chlorodichlorobis[(1,2,3,4,5,6-η)-1,3,5-trimethylbenzene]diruthenium52462-31-431 % similar Isodurene527-53-731 % similar

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

Elsewhere

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