tetraethylazanium;chloride;tetrahydrate

C8H28ClNO4 — CID 72710647

IUPACtetraethylazanium;chloride;tetrahydrate
SMILESCC[N+](CC)(CC)CC.O.O.O.O.[Cl-]
InChIInChI=1S/C8H20N.ClH.4H2O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;1H;4*1H2/q+1;;;;;/p-1
InChIKeyCYRASCBTCYHKPA-UHFFFAOYSA-M
MW237.77 g/mol
LogP-4.41
Rot. Bonds4

About tetraethylazanium;chloride;tetrahydrate

tetraethylazanium;chloride;tetrahydrate (PubChem CID 72710647) has the molecular formula C8H28ClNO4 and a molecular weight of 237.77 g/mol. Its IUPAC name is tetraethylazanium;chloride;tetrahydrate.

Molecular Properties

Compound Nametetraethylazanium;chloride;tetrahydrate
PubChem CID72710647
Molecular FormulaC8H28ClNO4
Molecular Weight237.77 g/mol
Exact Mass237.17
IUPAC Nametetraethylazanium;chloride;tetrahydrate
SMILESCC[N+](CC)(CC)CC.O.O.O.O.[Cl-]
InChIInChI=1S/C8H20N.ClH.4H2O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;1H;4*1H2/q+1;;;;;/p-1
InChIKeyCYRASCBTCYHKPA-UHFFFAOYSA-M
XLogP-4.41
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 5-4.41
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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Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;chloride;tetrahydrate?
The IUPAC name of tetraethylazanium;chloride;tetrahydrate (CID 72710647) is tetraethylazanium;chloride;tetrahydrate.
What is the SMILES notation for tetraethylazanium;chloride;tetrahydrate?
The canonical SMILES for tetraethylazanium;chloride;tetrahydrate is CC[N+](CC)(CC)CC.O.O.O.O.[Cl-].
What is the InChIKey of tetraethylazanium;chloride;tetrahydrate?
The InChIKey is CYRASCBTCYHKPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.ClH.4H2O/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;1H;4*1H2/q+1;;;;;/p-1.
What are the key properties of tetraethylazanium;chloride;tetrahydrate?
tetraethylazanium;chloride;tetrahydrate has a molecular weight of 237.77 g/mol, XLogP of -4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;chloride;tetrahydrate is sourced from PubChem (CID 72710647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).