About azanium;tetramethylazanium;dihydroxide
azanium;tetramethylazanium;dihydroxide (PubChem CID 18704340) has the molecular formula C4H18N2O2
and a molecular weight of 126.20 g/mol. Its IUPAC name is azanium;tetramethylazanium;dihydroxide.
Molecular Properties
| Compound Name | azanium;tetramethylazanium;dihydroxide |
| PubChem CID | 18704340 |
| Molecular Formula | C4H18N2O2 |
| Molecular Weight | 126.20 g/mol |
| Exact Mass | 126.14 |
| IUPAC Name | azanium;tetramethylazanium;dihydroxide |
| SMILES | C[N+](C)(C)C.[NH4+].[OH-].[OH-] |
| InChI | InChI=1S/C4H12N.H3N.2H2O/c1-5(2,3)4;;;/h1-4H3;1H3;2*1H2/q+1;;;/p-1 |
| InChIKey | PNNLHGFFNNLCHM-UHFFFAOYSA-M |
| XLogP | 0.34 |
| TPSA | 96.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | |
| Heavy Atoms | 8 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 126.20 |
| LogP ≤ 5 | 0.34 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of azanium;tetramethylazanium;dihydroxide?
The IUPAC name of azanium;tetramethylazanium;dihydroxide (CID 18704340) is azanium;tetramethylazanium;dihydroxide.
What is the SMILES notation for azanium;tetramethylazanium;dihydroxide?
The canonical SMILES for azanium;tetramethylazanium;dihydroxide is C[N+](C)(C)C.[NH4+].[OH-].[OH-].
What is the InChIKey of azanium;tetramethylazanium;dihydroxide?
The InChIKey is PNNLHGFFNNLCHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.H3N.2H2O/c1-5(2,3)4;;;/h1-4H3;1H3;2*1H2/q+1;;;/p-1.
What are the key properties of azanium;tetramethylazanium;dihydroxide?
azanium;tetramethylazanium;dihydroxide has a molecular weight of 126.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;tetramethylazanium;dihydroxide is sourced from PubChem (CID 18704340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).