ethanamine;hydrogen sulfate;hydron

C2H9NO4S — CID 173044266

IUPACethanamine;hydrogen sulfate;hydron
SMILESCCN.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyOXVXWUDYARFPLN-UHFFFAOYSA-N
MW143.16 g/mol
LogP-0.92
Rot. Bonds

About ethanamine;hydrogen sulfate;hydron

ethanamine;hydrogen sulfate;hydron (PubChem CID 173044266) has the molecular formula C2H9NO4S and a molecular weight of 143.16 g/mol. Its IUPAC name is ethanamine;hydrogen sulfate;hydron.

Molecular Properties

Compound Nameethanamine;hydrogen sulfate;hydron
PubChem CID173044266
Molecular FormulaC2H9NO4S
Molecular Weight143.16 g/mol
Exact Mass143.03
IUPAC Nameethanamine;hydrogen sulfate;hydron
SMILESCCN.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4)
InChIKeyOXVXWUDYARFPLN-UHFFFAOYSA-N
XLogP-0.92
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.92
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanamine;hydrogen sulfate;hydron?
The IUPAC name of ethanamine;hydrogen sulfate;hydron (CID 173044266) is ethanamine;hydrogen sulfate;hydron.
What is the SMILES notation for ethanamine;hydrogen sulfate;hydron?
The canonical SMILES for ethanamine;hydrogen sulfate;hydron is CCN.O=S(=O)([O-])O.[H+].
What is the InChIKey of ethanamine;hydrogen sulfate;hydron?
The InChIKey is OXVXWUDYARFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.H2O4S/c1-2-3;1-5(2,3)4/h2-3H2,1H3;(H2,1,2,3,4).
What are the key properties of ethanamine;hydrogen sulfate;hydron?
ethanamine;hydrogen sulfate;hydron has a molecular weight of 143.16 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;hydrogen sulfate;hydron is sourced from PubChem (CID 173044266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).