1,3-Diisopropylimidazolium chloride

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Catalog Number
ACM139143092-2
Product Name
1,3-Diisopropylimidazolium chloride
Structure
Structure
CAS
139143-09-2
Category
Heterocyclic Organic Compound
Synonyms
AKOS015910746; 1,3-bis(propan-2-yl)-1H-imidazol-3-ium chloride; TRA0062834; 1,3-Diisopropyl-1H-imidazol-3-ium chloride; 1,3-di(propan-2-yl)imidazol-1-ium; SCHEMBL1042633; RT-004857; 1,3-DI-I-PROPYLIMIDAZOLIUM CHLORIDE; MFCD03840577; I14-39707;
IUPAC Name
1,3-di(propan-2-yl)imidazol-1-ium;chloride;
Molecular Weight
188.70
Molecular Formula
C9H17ClN2
Canonical SMILES
CC(C)N1C=C[N+](=C1)C(C)C.[Cl-];
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;
InChI Key
DOFXKPAOJLLPII-UHFFFAOYSA-M;
Melting Point
182-186°C
Application
Ligand for ruthenium-catalyzed greener amide bond formation from amine and alcohol dehydrogenation coupling
Complexity
107
Covalently-Bonded Unit Count
2
Exact Mass
188.108g/mol
H-Bond Acceptor
1
Heavy Atom Count
12
Monoisotopic Mass
188.108g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
8.8A^2
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