1,3-Diisopropylimidazolium chloride

C₉H₁₇ClN₂CAS 139143-09-2188.70 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₇ClN₂
Molar mass: 188.70 g/mol
Exact mass: 188.1080 Da
logP: -1.06Crippen 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 irritation100% of notifiers

Aggregated from 44 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

139143-09-2

SMILES

CC(C)N1C=C[N+](=C1)C(C)C.[Cl-]

InChIKey

DOFXKPAOJLLPII-UHFFFAOYSA-M

InChI

InChI=1S/C9H17N2.ClH/c1-8(2)10-5-6-11(7-10)9(3)4;/h5-9H,1-4H3;1H/q+1;/p-1

Weigh it out

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

Work with 1,3-Diisopropylimidazolium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,3-Diisopropylimidazolium tetrafluoroborate286014-34-4Salt

Similar compounds

1,3-Dicyclohexyl-imidazolium chloride181422-72-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-2,3-dimethylimidazolium chloride98892-75-2

Elsewhere

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