azanium;ethanol;acetate

C4H13NO3 — CID 87119319

IUPACazanium;ethanol;acetate
SMILESCC(=O)[O-].CCO.[NH4+]
InChIInChI=1S/C2H4O2.C2H6O.H3N/c1-2(3)4;1-2-3;/h1H3,(H,3,4);3H,2H2,1H3;1H3
InChIKeyANAKGLHGKIVHLU-UHFFFAOYSA-N
MW123.15 g/mol
LogP-0.87
Rot. Bonds

About azanium;ethanol;acetate

azanium;ethanol;acetate (PubChem CID 87119319) has the molecular formula C4H13NO3 and a molecular weight of 123.15 g/mol. Its IUPAC name is azanium;ethanol;acetate.

Molecular Properties

Compound Nameazanium;ethanol;acetate
PubChem CID87119319
Molecular FormulaC4H13NO3
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Nameazanium;ethanol;acetate
SMILESCC(=O)[O-].CCO.[NH4+]
InChIInChI=1S/C2H4O2.C2H6O.H3N/c1-2(3)4;1-2-3;/h1H3,(H,3,4);3H,2H2,1H3;1H3
InChIKeyANAKGLHGKIVHLU-UHFFFAOYSA-N
XLogP-0.87
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;acetate?
The IUPAC name of azanium;ethanol;acetate (CID 87119319) is azanium;ethanol;acetate.
What is the SMILES notation for azanium;ethanol;acetate?
The canonical SMILES for azanium;ethanol;acetate is CC(=O)[O-].CCO.[NH4+].
What is the InChIKey of azanium;ethanol;acetate?
The InChIKey is ANAKGLHGKIVHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.C2H6O.H3N/c1-2(3)4;1-2-3;/h1H3,(H,3,4);3H,2H2,1H3;1H3.
What are the key properties of azanium;ethanol;acetate?
azanium;ethanol;acetate has a molecular weight of 123.15 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;acetate is sourced from PubChem (CID 87119319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).