About tert-butylazanium;phosphenic acid
tert-butylazanium;phosphenic acid (PubChem CID 139076142) has the molecular formula C4H13NO3P+
and a molecular weight of 154.13 g/mol. Its IUPAC name is tert-butylazanium;phosphenic acid.
Molecular Properties
| Compound Name | tert-butylazanium;phosphenic acid |
|---|
| PubChem CID | 139076142 |
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| Molecular Formula | C4H13NO3P+ |
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| Molecular Weight | 154.13 g/mol |
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| Exact Mass | 154.06 |
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| IUPAC Name | tert-butylazanium;phosphenic acid |
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| SMILES | CC(C)(C)[NH3+].O=[P+]([O-])O |
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| InChI | InChI=1S/C4H11N.HO3P/c1-4(2,3)5;1-4(2)3/h5H2,1-3H3;(H,1,2,3)/p+1 |
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| InChIKey | ZYWSYABGZHQTRU-UHFFFAOYSA-O |
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| XLogP | -0.98 |
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| TPSA | 88.00 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 154.13 |
| LogP ≤ 5 | -0.98 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tert-butylazanium;phosphenic acid?
The IUPAC name of tert-butylazanium;phosphenic acid (CID 139076142) is tert-butylazanium;phosphenic acid.
What is the SMILES notation for tert-butylazanium;phosphenic acid?
The canonical SMILES for tert-butylazanium;phosphenic acid is CC(C)(C)[NH3+].O=[P+]([O-])O.
What is the InChIKey of tert-butylazanium;phosphenic acid?
The InChIKey is ZYWSYABGZHQTRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.HO3P/c1-4(2,3)5;1-4(2)3/h5H2,1-3H3;(H,1,2,3)/p+1.
What are the key properties of tert-butylazanium;phosphenic acid?
tert-butylazanium;phosphenic acid has a molecular weight of 154.13 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanium;phosphenic acid is sourced from PubChem (CID 139076142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).