aluminum;tributyl(methyl)azanium;tetrachloride

C13H30AlCl4N — CID 173050889

IUPACaluminum;tributyl(methyl)azanium;tetrachloride
SMILESCCCC[N+](C)(CCCC)CCCC.[Al+3].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C13H30N.Al.4ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;;;;;/h5-13H2,1-4H3;;4*1H/q+1;+3;;;;/p-4
InChIKeySKAQYJCAYCHGNH-UHFFFAOYSA-J
MW369.18 g/mol
LogP-8.53
Rot. Bonds9

About aluminum;tributyl(methyl)azanium;tetrachloride

aluminum;tributyl(methyl)azanium;tetrachloride (PubChem CID 173050889) has the molecular formula C13H30AlCl4N and a molecular weight of 369.18 g/mol. Its IUPAC name is aluminum;tributyl(methyl)azanium;tetrachloride.

Molecular Properties

Compound Namealuminum;tributyl(methyl)azanium;tetrachloride
PubChem CID173050889
Molecular FormulaC13H30AlCl4N
Molecular Weight369.18 g/mol
Exact Mass367.09
IUPAC Namealuminum;tributyl(methyl)azanium;tetrachloride
SMILESCCCC[N+](C)(CCCC)CCCC.[Al+3].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C13H30N.Al.4ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;;;;;/h5-13H2,1-4H3;;4*1H/q+1;+3;;;;/p-4
InChIKeySKAQYJCAYCHGNH-UHFFFAOYSA-J
XLogP-8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 5-8.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl-methyl-pentylazanium
CID 21452154
butyl-dodecyl-methyl-octylazanium
CID 71382086
dibutyl-ethyl-methylazanium chloride
CID 22486999
methyl(trioctyl)azanium;chloride;hydrochloride
CID 172818491
4-bromobutyl-dibutyl-methylazanium chloride
CID 139956491
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
dibutyl-(3-hydroxypropyl)-methylazanium
CID 58053101
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
methyl-tri(nonyl)azanium iodide
CID 88652767
triheptyl(methyl)azanium hydroxide
CID 87534234

Frequently Asked Questions

What is the IUPAC name of aluminum;tributyl(methyl)azanium;tetrachloride?
The IUPAC name of aluminum;tributyl(methyl)azanium;tetrachloride (CID 173050889) is aluminum;tributyl(methyl)azanium;tetrachloride.
What is the SMILES notation for aluminum;tributyl(methyl)azanium;tetrachloride?
The canonical SMILES for aluminum;tributyl(methyl)azanium;tetrachloride is CCCC[N+](C)(CCCC)CCCC.[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;tributyl(methyl)azanium;tetrachloride?
The InChIKey is SKAQYJCAYCHGNH-UHFFFAOYSA-J. The full InChI is InChI=1S/C13H30N.Al.4ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;;;;;/h5-13H2,1-4H3;;4*1H/q+1;+3;;;;/p-4.
What are the key properties of aluminum;tributyl(methyl)azanium;tetrachloride?
aluminum;tributyl(methyl)azanium;tetrachloride has a molecular weight of 369.18 g/mol, XLogP of -8.53, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;tributyl(methyl)azanium;tetrachloride is sourced from PubChem (CID 173050889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).