tris(2-hydroxyethoxy)-phenylazanium

C12H20NO6+ — CID 88694066

IUPACtris(2-hydroxyethoxy)-phenylazanium
SMILESOCCO[N+](OCCO)(OCCO)c1ccccc1
InChIInChI=1S/C12H20NO6/c14-6-9-17-13(18-10-7-15,19-11-8-16)12-4-2-1-3-5-12/h1-5,14-16H,6-11H2/q+1
InChIKeyNBBQSJIXVHXTID-UHFFFAOYSA-N
MW274.29 g/mol
LogP-0.23
Rot. Bonds10

About tris(2-hydroxyethoxy)-phenylazanium

tris(2-hydroxyethoxy)-phenylazanium (PubChem CID 88694066) has the molecular formula C12H20NO6+ and a molecular weight of 274.29 g/mol. Its IUPAC name is tris(2-hydroxyethoxy)-phenylazanium.

Molecular Properties

Compound Nametris(2-hydroxyethoxy)-phenylazanium
PubChem CID88694066
Molecular FormulaC12H20NO6+
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Nametris(2-hydroxyethoxy)-phenylazanium
SMILESOCCO[N+](OCCO)(OCCO)c1ccccc1
InChIInChI=1S/C12H20NO6/c14-6-9-17-13(18-10-7-15,19-11-8-16)12-4-2-1-3-5-12/h1-5,14-16H,6-11H2/q+1
InChIKeyNBBQSJIXVHXTID-UHFFFAOYSA-N
XLogP-0.23
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2-diphenylsilyloxyethanol
CID 175274572
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-aminoquinazolin-4-yl)oxyethanol
CID 80859584
biphenylene;2-methoxyethanol
CID 69005385
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
formic acid;2-phenoxyethanol
CID 71438669

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethoxy)-phenylazanium?
The IUPAC name of tris(2-hydroxyethoxy)-phenylazanium (CID 88694066) is tris(2-hydroxyethoxy)-phenylazanium.
What is the SMILES notation for tris(2-hydroxyethoxy)-phenylazanium?
The canonical SMILES for tris(2-hydroxyethoxy)-phenylazanium is OCCO[N+](OCCO)(OCCO)c1ccccc1.
What is the InChIKey of tris(2-hydroxyethoxy)-phenylazanium?
The InChIKey is NBBQSJIXVHXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO6/c14-6-9-17-13(18-10-7-15,19-11-8-16)12-4-2-1-3-5-12/h1-5,14-16H,6-11H2/q+1.
What are the key properties of tris(2-hydroxyethoxy)-phenylazanium?
tris(2-hydroxyethoxy)-phenylazanium has a molecular weight of 274.29 g/mol, XLogP of -0.23, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethoxy)-phenylazanium is sourced from PubChem (CID 88694066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).