diethylazanium;hydrogen sulfate

C4H13NO4S — CID 10910011

IUPACdiethylazanium;hydrogen sulfate
SMILESCC[NH2+]CC.O=S(=O)([O-])O
InChIInChI=1S/C4H11N.H2O4S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyNLXFONFHPKEHOZ-UHFFFAOYSA-N
MW171.22 g/mol
LogP-1.41
Rot. Bonds2

About diethylazanium;hydrogen sulfate

diethylazanium;hydrogen sulfate (PubChem CID 10910011) has the molecular formula C4H13NO4S and a molecular weight of 171.22 g/mol. Its IUPAC name is diethylazanium;hydrogen sulfate.

Molecular Properties

Compound Namediethylazanium;hydrogen sulfate
PubChem CID10910011
Molecular FormulaC4H13NO4S
Molecular Weight171.22 g/mol
Exact Mass171.06
IUPAC Namediethylazanium;hydrogen sulfate
SMILESCC[NH2+]CC.O=S(=O)([O-])O
InChIInChI=1S/C4H11N.H2O4S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyNLXFONFHPKEHOZ-UHFFFAOYSA-N
XLogP-1.41
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylazanium;hydrogen sulfate?
The IUPAC name of diethylazanium;hydrogen sulfate (CID 10910011) is diethylazanium;hydrogen sulfate.
What is the SMILES notation for diethylazanium;hydrogen sulfate?
The canonical SMILES for diethylazanium;hydrogen sulfate is CC[NH2+]CC.O=S(=O)([O-])O.
What is the InChIKey of diethylazanium;hydrogen sulfate?
The InChIKey is NLXFONFHPKEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O4S/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of diethylazanium;hydrogen sulfate?
diethylazanium;hydrogen sulfate has a molecular weight of 171.22 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium;hydrogen sulfate is sourced from PubChem (CID 10910011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).