aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride

C7H13AlCl4N2 — CID 157102385

IUPACaluminum;1-butyl-1H-imidazol-1-ium;tetrachloride
SMILESCCCC[NH+]1C=CN=C1.[Al+3].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C7H12N2.Al.4ClH/c1-2-3-5-9-6-4-8-7-9;;;;;/h4,6-7H,2-3,5H2,1H3;;4*1H/q;+3;;;;/p-3
InChIKeyAFXIDVHCLIVXMC-UHFFFAOYSA-K
MW293.99 g/mol
LogP-12.18
Rot. Bonds3

About aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride

aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride (PubChem CID 157102385) has the molecular formula C7H13AlCl4N2 and a molecular weight of 293.99 g/mol. Its IUPAC name is aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride.

Molecular Properties

Compound Namealuminum;1-butyl-1H-imidazol-1-ium;tetrachloride
PubChem CID157102385
Molecular FormulaC7H13AlCl4N2
Molecular Weight293.99 g/mol
Exact Mass291.96
IUPAC Namealuminum;1-butyl-1H-imidazol-1-ium;tetrachloride
SMILESCCCC[NH+]1C=CN=C1.[Al+3].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C7H12N2.Al.4ClH/c1-2-3-5-9-6-4-8-7-9;;;;;/h4,6-7H,2-3,5H2,1H3;;4*1H/q;+3;;;;/p-3
InChIKeyAFXIDVHCLIVXMC-UHFFFAOYSA-K
XLogP-12.18
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 5-12.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylhexadecyl)-1H-imidazol-1-ium chloride
CID 89457371
1-propyl-1H-imidazol-1-ium;tetrachloroalumanuide
CID 66783958
1-hexadecyl-1H-imidazol-1-ium;2-(trimethylazaniumyl)acetate
CID 21328094
1-ethyl-1H-imidazol-1-ium iodide
CID 67182468
1-hexadecyl-1H-pyrrol-1-ium chloride
CID 141483333
1-butyl-3-methyl-1H-imidazole-1,3-diium dichloride
CID 11009217
2-[2-(1H-imidazol-1-ium-1-yl)ethoxy]ethanol acetate
CID 90424477
1,4-dibutyl-1H-imidazol-1-ium
CID 154128738
chloroethane;1-methyl-1H-imidazol-1-ium
CID 159558024
1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride
CID 171615941
1-butyl-2-[(1-butyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
CID 148919358
1-butyl-3-ethyl-1H-pyrrol-1-ium cyanide
CID 171615738

Frequently Asked Questions

What is the IUPAC name of aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride?
The IUPAC name of aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride (CID 157102385) is aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride.
What is the SMILES notation for aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride?
The canonical SMILES for aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride is CCCC[NH+]1C=CN=C1.[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride?
The InChIKey is AFXIDVHCLIVXMC-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H12N2.Al.4ClH/c1-2-3-5-9-6-4-8-7-9;;;;;/h4,6-7H,2-3,5H2,1H3;;4*1H/q;+3;;;;/p-3.
What are the key properties of aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride?
aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride has a molecular weight of 293.99 g/mol, XLogP of -12.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;1-butyl-1H-imidazol-1-ium;tetrachloride is sourced from PubChem (CID 157102385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).