2-azaniumylethylazanium;sulfate;tetrahydrate

C2H18N2O8S — CID 23289076

IUPAC2-azaniumylethylazanium;sulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.H2O4S.4H2O/c3-1-2-4;1-5(2,3)4;;;;/h1-4H2;(H2,1,2,3,4);4*1H2
InChIKeyMAPKGMALKJUSSZ-UHFFFAOYSA-N
MW230.24 g/mol
LogP-7.17
Rot. Bonds1

About 2-azaniumylethylazanium;sulfate;tetrahydrate

2-azaniumylethylazanium;sulfate;tetrahydrate (PubChem CID 23289076) has the molecular formula C2H18N2O8S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-azaniumylethylazanium;sulfate;tetrahydrate.

Molecular Properties

Compound Name2-azaniumylethylazanium;sulfate;tetrahydrate
PubChem CID23289076
Molecular FormulaC2H18N2O8S
Molecular Weight230.24 g/mol
Exact Mass230.08
IUPAC Name2-azaniumylethylazanium;sulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.H2O4S.4H2O/c3-1-2-4;1-5(2,3)4;;;;/h1-4H2;(H2,1,2,3,4);4*1H2
InChIKeyMAPKGMALKJUSSZ-UHFFFAOYSA-N
XLogP-7.17
TPSA261.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-7.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-azaniumylethylazanium;sulfate;tetrahydrate?
The IUPAC name of 2-azaniumylethylazanium;sulfate;tetrahydrate (CID 23289076) is 2-azaniumylethylazanium;sulfate;tetrahydrate.
What is the SMILES notation for 2-azaniumylethylazanium;sulfate;tetrahydrate?
The canonical SMILES for 2-azaniumylethylazanium;sulfate;tetrahydrate is O.O.O.O.O=S(=O)([O-])[O-].[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium;sulfate;tetrahydrate?
The InChIKey is MAPKGMALKJUSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.H2O4S.4H2O/c3-1-2-4;1-5(2,3)4;;;;/h1-4H2;(H2,1,2,3,4);4*1H2.
What are the key properties of 2-azaniumylethylazanium;sulfate;tetrahydrate?
2-azaniumylethylazanium;sulfate;tetrahydrate has a molecular weight of 230.24 g/mol, XLogP of -7.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium;sulfate;tetrahydrate is sourced from PubChem (CID 23289076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).