copper(1+);ethane-1,2-diamine;hydrogen sulfate

C2H9CuN2O4S — CID 23344051

IUPACcopper(1+);ethane-1,2-diamine;hydrogen sulfate
SMILESNCCN.O=S(=O)([O-])O.[Cu+]
InChIInChI=1S/C2H8N2.Cu.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyMZOOGAAYSMQJGZ-UHFFFAOYSA-M
MW220.72 g/mol
LogP-2.09
Rot. Bonds1

About copper(1+);ethane-1,2-diamine;hydrogen sulfate

copper(1+);ethane-1,2-diamine;hydrogen sulfate (PubChem CID 23344051) has the molecular formula C2H9CuN2O4S and a molecular weight of 220.72 g/mol. Its IUPAC name is copper(1+);ethane-1,2-diamine;hydrogen sulfate.

Molecular Properties

Compound Namecopper(1+);ethane-1,2-diamine;hydrogen sulfate
PubChem CID23344051
Molecular FormulaC2H9CuN2O4S
Molecular Weight220.72 g/mol
Exact Mass219.96
IUPAC Namecopper(1+);ethane-1,2-diamine;hydrogen sulfate
SMILESNCCN.O=S(=O)([O-])O.[Cu+]
InChIInChI=1S/C2H8N2.Cu.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyMZOOGAAYSMQJGZ-UHFFFAOYSA-M
XLogP-2.09
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
cobalt(2+);bis(ethane-1,2-diamine);sulfate
CID 161215849
ethanamine;hydrogen sulfate;hydron
CID 173044266
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
azane;ethane-1,2-diamine;palladium;sulfuric acid
CID 175400148
strontium hydrogen sulfate
CID 160697720
hydrogen sulfate;zirconium(4+)
CID 11213772
copper;aminoazanide;hydrogen sulfate
CID 71432056
sodium;hydrogen peroxide;hydrogen sulfate
CID 159927283
CID 20581843
CID 20581843
hydrogen sulfate;hydron;silver
CID 173307708
aluminum;guanidine;hydrogen sulfate;sulfate;hydrate
CID 173272107

Frequently Asked Questions

What is the IUPAC name of copper(1+);ethane-1,2-diamine;hydrogen sulfate?
The IUPAC name of copper(1+);ethane-1,2-diamine;hydrogen sulfate (CID 23344051) is copper(1+);ethane-1,2-diamine;hydrogen sulfate.
What is the SMILES notation for copper(1+);ethane-1,2-diamine;hydrogen sulfate?
The canonical SMILES for copper(1+);ethane-1,2-diamine;hydrogen sulfate is NCCN.O=S(=O)([O-])O.[Cu+].
What is the InChIKey of copper(1+);ethane-1,2-diamine;hydrogen sulfate?
The InChIKey is MZOOGAAYSMQJGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8N2.Cu.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of copper(1+);ethane-1,2-diamine;hydrogen sulfate?
copper(1+);ethane-1,2-diamine;hydrogen sulfate has a molecular weight of 220.72 g/mol, XLogP of -2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);ethane-1,2-diamine;hydrogen sulfate is sourced from PubChem (CID 23344051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).