alumane;6-aminohexanoic acid;zirconium;hydrochloride

C6H17AlClNO2Zr — CID 173334193

IUPACalumane;6-aminohexanoic acid;zirconium;hydrochloride
SMILESCl.NCCCCCC(=O)O.[AlH3].[Zr]
InChIInChI=1S/C6H13NO2.Al.ClH.Zr.3H/c7-5-3-1-2-4-6(8)9;;;;;;/h1-5,7H2,(H,8,9);;1H;;;;
InChIKeyRNFNDANQXZANMI-UHFFFAOYSA-N
MW288.87 g/mol
LogP-0.17
Rot. Bonds5

About alumane;6-aminohexanoic acid;zirconium;hydrochloride

alumane;6-aminohexanoic acid;zirconium;hydrochloride (PubChem CID 173334193) has the molecular formula C6H17AlClNO2Zr and a molecular weight of 288.87 g/mol. Its IUPAC name is alumane;6-aminohexanoic acid;zirconium;hydrochloride.

Molecular Properties

Compound Namealumane;6-aminohexanoic acid;zirconium;hydrochloride
PubChem CID173334193
Molecular FormulaC6H17AlClNO2Zr
Molecular Weight288.87 g/mol
Exact Mass286.98
IUPAC Namealumane;6-aminohexanoic acid;zirconium;hydrochloride
SMILESCl.NCCCCCC(=O)O.[AlH3].[Zr]
InChIInChI=1S/C6H13NO2.Al.ClH.Zr.3H/c7-5-3-1-2-4-6(8)9;;;;;;/h1-5,7H2,(H,8,9);;1H;;;;
InChIKeyRNFNDANQXZANMI-UHFFFAOYSA-N
XLogP-0.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.87
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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heptanedioic acid;hexane-1,6-diamine
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nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
12-amino-7-oxododecanoic acid
CID 4206597
4-aminobutanoic acid;dihydrochloride
CID 87111723

Frequently Asked Questions

What is the IUPAC name of alumane;6-aminohexanoic acid;zirconium;hydrochloride?
The IUPAC name of alumane;6-aminohexanoic acid;zirconium;hydrochloride (CID 173334193) is alumane;6-aminohexanoic acid;zirconium;hydrochloride.
What is the SMILES notation for alumane;6-aminohexanoic acid;zirconium;hydrochloride?
The canonical SMILES for alumane;6-aminohexanoic acid;zirconium;hydrochloride is Cl.NCCCCCC(=O)O.[AlH3].[Zr].
What is the InChIKey of alumane;6-aminohexanoic acid;zirconium;hydrochloride?
The InChIKey is RNFNDANQXZANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.Al.ClH.Zr.3H/c7-5-3-1-2-4-6(8)9;;;;;;/h1-5,7H2,(H,8,9);;1H;;;;.
What are the key properties of alumane;6-aminohexanoic acid;zirconium;hydrochloride?
alumane;6-aminohexanoic acid;zirconium;hydrochloride has a molecular weight of 288.87 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;6-aminohexanoic acid;zirconium;hydrochloride is sourced from PubChem (CID 173334193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).