aluminum;tris(2-aminoacetate);tetrahydrochloride

C6H16AlCl4N3O6 — CID 173183956

IUPACaluminum;tris(2-aminoacetate);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al+3]
InChIInChI=1S/3C2H5NO2.Al.4ClH/c3*3-1-2(4)5;;;;;/h3*1,3H2,(H,4,5);;4*1H/q;;;+3;;;;/p-3
InChIKeyGJVYDDYVVFVVGZ-UHFFFAOYSA-K
MW395.00 g/mol
LogP-5.61
Rot. Bonds3

About aluminum;tris(2-aminoacetate);tetrahydrochloride

aluminum;tris(2-aminoacetate);tetrahydrochloride (PubChem CID 173183956) has the molecular formula C6H16AlCl4N3O6 and a molecular weight of 395.00 g/mol. Its IUPAC name is aluminum;tris(2-aminoacetate);tetrahydrochloride.

Molecular Properties

Compound Namealuminum;tris(2-aminoacetate);tetrahydrochloride
PubChem CID173183956
Molecular FormulaC6H16AlCl4N3O6
Molecular Weight395.00 g/mol
Exact Mass392.96
IUPAC Namealuminum;tris(2-aminoacetate);tetrahydrochloride
SMILESCl.Cl.Cl.Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al+3]
InChIInChI=1S/3C2H5NO2.Al.4ClH/c3*3-1-2(4)5;;;;;/h3*1,3H2,(H,4,5);;4*1H/q;;;+3;;;;/p-3
InChIKeyGJVYDDYVVFVVGZ-UHFFFAOYSA-K
XLogP-5.61
TPSA198.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.00
LogP ≤ 5-5.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

aluminum tris(2-aminoacetate)
CID 6452712
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
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CID 173183203
CID 173183203
aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
CID 175035825
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
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CID 175457538
copper;bis(2-aminoacetate);hydrate
CID 139067245
2-aminoacetate;iron(3+);diacetate
CID 174987571
trisodium;2-aminoacetate;diacetate
CID 20975811
sodium;2-aminoacetate;chromium(3+);trichloride
CID 24848593

Frequently Asked Questions

What is the IUPAC name of aluminum;tris(2-aminoacetate);tetrahydrochloride?
The IUPAC name of aluminum;tris(2-aminoacetate);tetrahydrochloride (CID 173183956) is aluminum;tris(2-aminoacetate);tetrahydrochloride.
What is the SMILES notation for aluminum;tris(2-aminoacetate);tetrahydrochloride?
The canonical SMILES for aluminum;tris(2-aminoacetate);tetrahydrochloride is Cl.Cl.Cl.Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al+3].
What is the InChIKey of aluminum;tris(2-aminoacetate);tetrahydrochloride?
The InChIKey is GJVYDDYVVFVVGZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H5NO2.Al.4ClH/c3*3-1-2(4)5;;;;;/h3*1,3H2,(H,4,5);;4*1H/q;;;+3;;;;/p-3.
What are the key properties of aluminum;tris(2-aminoacetate);tetrahydrochloride?
aluminum;tris(2-aminoacetate);tetrahydrochloride has a molecular weight of 395.00 g/mol, XLogP of -5.61, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;tris(2-aminoacetate);tetrahydrochloride is sourced from PubChem (CID 173183956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).