azanium;ethanol;hydroxide;hydrate

C2H13NO3 — CID 86596525

IUPACazanium;ethanol;hydroxide;hydrate
SMILESCCO.O.[NH4+].[OH-]
InChIInChI=1S/C2H6O.H3N.2H2O/c1-2-3;;;/h3H,2H2,1H3;1H3;2*1H2
InChIKeyJDWFOTLBRARKLZ-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.63
Rot. Bonds

About azanium;ethanol;hydroxide;hydrate

azanium;ethanol;hydroxide;hydrate (PubChem CID 86596525) has the molecular formula C2H13NO3 and a molecular weight of 99.13 g/mol. Its IUPAC name is azanium;ethanol;hydroxide;hydrate.

Molecular Properties

Compound Nameazanium;ethanol;hydroxide;hydrate
PubChem CID86596525
Molecular FormulaC2H13NO3
Molecular Weight99.13 g/mol
Exact Mass99.09
IUPAC Nameazanium;ethanol;hydroxide;hydrate
SMILESCCO.O.[NH4+].[OH-]
InChIInChI=1S/C2H6O.H3N.2H2O/c1-2-3;;;/h3H,2H2,1H3;1H3;2*1H2
InChIKeyJDWFOTLBRARKLZ-UHFFFAOYSA-N
XLogP-0.63
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;hydroxide;hydrate?
The IUPAC name of azanium;ethanol;hydroxide;hydrate (CID 86596525) is azanium;ethanol;hydroxide;hydrate.
What is the SMILES notation for azanium;ethanol;hydroxide;hydrate?
The canonical SMILES for azanium;ethanol;hydroxide;hydrate is CCO.O.[NH4+].[OH-].
What is the InChIKey of azanium;ethanol;hydroxide;hydrate?
The InChIKey is JDWFOTLBRARKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.H3N.2H2O/c1-2-3;;;/h3H,2H2,1H3;1H3;2*1H2.
What are the key properties of azanium;ethanol;hydroxide;hydrate?
azanium;ethanol;hydroxide;hydrate has a molecular weight of 99.13 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;hydroxide;hydrate is sourced from PubChem (CID 86596525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).