diazanium;ethanol;carbonate

C3H14N2O4 — CID 86755515

IUPACdiazanium;ethanol;carbonate
SMILESCCO.O=C([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H6O.CH2O3.2H3N/c1-2-3;2-1(3)4;;/h3H,2H2,1H3;(H2,2,3,4);2*1H3
InChIKeyVUJGDEMTTYDVTB-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.70
Rot. Bonds

About diazanium;ethanol;carbonate

diazanium;ethanol;carbonate (PubChem CID 86755515) has the molecular formula C3H14N2O4 and a molecular weight of 142.16 g/mol. Its IUPAC name is diazanium;ethanol;carbonate.

Molecular Properties

Compound Namediazanium;ethanol;carbonate
PubChem CID86755515
Molecular FormulaC3H14N2O4
Molecular Weight142.16 g/mol
Exact Mass142.10
IUPAC Namediazanium;ethanol;carbonate
SMILESCCO.O=C([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/C2H6O.CH2O3.2H3N/c1-2-3;2-1(3)4;;/h3H,2H2,1H3;(H2,2,3,4);2*1H3
InChIKeyVUJGDEMTTYDVTB-UHFFFAOYSA-N
XLogP-1.70
TPSA156.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diazanium;ethanol;carbonate?
The IUPAC name of diazanium;ethanol;carbonate (CID 86755515) is diazanium;ethanol;carbonate.
What is the SMILES notation for diazanium;ethanol;carbonate?
The canonical SMILES for diazanium;ethanol;carbonate is CCO.O=C([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;ethanol;carbonate?
The InChIKey is VUJGDEMTTYDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH2O3.2H3N/c1-2-3;2-1(3)4;;/h3H,2H2,1H3;(H2,2,3,4);2*1H3.
What are the key properties of diazanium;ethanol;carbonate?
diazanium;ethanol;carbonate has a molecular weight of 142.16 g/mol, XLogP of -1.70, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;ethanol;carbonate is sourced from PubChem (CID 86755515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).