tetrakis(2-hydroxyethyl)azanium bromide

C8H20BrNO4 — CID 177465102

IUPACtetrakis(2-hydroxyethyl)azanium bromide
SMILESOCC[N+](CCO)(CCO)CCO.[Br-]
InChIInChI=1S/C8H20NO4.BrH/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H/q+1;/p-1
InChIKeyHAKHOKJQPCRWAS-UHFFFAOYSA-M
MW274.15 g/mol
LogP-5.22
Rot. Bonds8

About tetrakis(2-hydroxyethyl)azanium bromide

tetrakis(2-hydroxyethyl)azanium bromide (PubChem CID 177465102) has the molecular formula C8H20BrNO4 and a molecular weight of 274.15 g/mol. Its IUPAC name is tetrakis(2-hydroxyethyl)azanium bromide.

Molecular Properties

Compound Nametetrakis(2-hydroxyethyl)azanium bromide
PubChem CID177465102
Molecular FormulaC8H20BrNO4
Molecular Weight274.15 g/mol
Exact Mass273.06
IUPAC Nametetrakis(2-hydroxyethyl)azanium bromide
SMILESOCC[N+](CCO)(CCO)CCO.[Br-]
InChIInChI=1S/C8H20NO4.BrH/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H/q+1;/p-1
InChIKeyHAKHOKJQPCRWAS-UHFFFAOYSA-M
XLogP-5.22
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 5-5.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
tris(tetrakis(2-hydroxyethyl)azanium);borate
CID 173421855
dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
CID 87195022
tris(2-hydroxyethyl)-nonylazanium bromide
CID 175684736
tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
dodecyl-[8-[dodecyl-bis(2-hydroxyethyl)azaniumyl]octyl]-bis(2-hydroxyethyl)azanium dibromide
CID 175685284
bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
CID 126615249
2-carboxyethyl-tris(2-hydroxyethyl)azanium
CID 88894350
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-hydroxyethyl)azanium bromide?
The IUPAC name of tetrakis(2-hydroxyethyl)azanium bromide (CID 177465102) is tetrakis(2-hydroxyethyl)azanium bromide.
What is the SMILES notation for tetrakis(2-hydroxyethyl)azanium bromide?
The canonical SMILES for tetrakis(2-hydroxyethyl)azanium bromide is OCC[N+](CCO)(CCO)CCO.[Br-].
What is the InChIKey of tetrakis(2-hydroxyethyl)azanium bromide?
The InChIKey is HAKHOKJQPCRWAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO4.BrH/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H/q+1;/p-1.
What are the key properties of tetrakis(2-hydroxyethyl)azanium bromide?
tetrakis(2-hydroxyethyl)azanium bromide has a molecular weight of 274.15 g/mol, XLogP of -5.22, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-hydroxyethyl)azanium bromide is sourced from PubChem (CID 177465102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).