aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride

C8H17AlCl4N2 — CID 172848443

IUPACaluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
SMILESCCCCN1C=CN(C)C1.Cl.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C8H16N2.Al.4ClH/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h6-7H,3-5,8H2,1-2H3;;4*1H/q;+3;;;;/p-3
InChIKeyXSYMGZDMMSYEMQ-UHFFFAOYSA-K
MW310.03 g/mol
LogP-7.48
Rot. Bonds3

About aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride

aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride (PubChem CID 172848443) has the molecular formula C8H17AlCl4N2 and a molecular weight of 310.03 g/mol. Its IUPAC name is aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride.

Molecular Properties

Compound Namealuminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
PubChem CID172848443
Molecular FormulaC8H17AlCl4N2
Molecular Weight310.03 g/mol
Exact Mass308.00
IUPAC Namealuminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
SMILESCCCCN1C=CN(C)C1.Cl.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C8H16N2.Al.4ClH/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h6-7H,3-5,8H2,1-2H3;;4*1H/q;+3;;;;/p-3
InChIKeyXSYMGZDMMSYEMQ-UHFFFAOYSA-K
XLogP-7.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
LogP ≤ 5-7.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-methyl-2H-imidazole
CID 10265934
CID 174105864
CID 174105864
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662

Frequently Asked Questions

What is the IUPAC name of aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride?
The IUPAC name of aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride (CID 172848443) is aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride.
What is the SMILES notation for aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride?
The canonical SMILES for aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride is CCCCN1C=CN(C)C1.Cl.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride?
The InChIKey is XSYMGZDMMSYEMQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H16N2.Al.4ClH/c1-3-4-5-10-7-6-9(2)8-10;;;;;/h6-7H,3-5,8H2,1-2H3;;4*1H/q;+3;;;;/p-3.
What are the key properties of aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride?
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride has a molecular weight of 310.03 g/mol, XLogP of -7.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride is sourced from PubChem (CID 172848443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).