About aminoazanium bromide
aminoazanium bromide (PubChem CID 57430858) has the molecular formula H5BrN2
and a molecular weight of 112.96 g/mol. Its IUPAC name is aminoazanium bromide.
Molecular Properties
| Compound Name | aminoazanium bromide |
|---|
| PubChem CID | 57430858 |
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| Molecular Formula | H5BrN2 |
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| Molecular Weight | 112.96 g/mol |
|---|
| Exact Mass | 111.96 |
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| IUPAC Name | aminoazanium bromide |
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| SMILES | N[NH3+].[Br-] |
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| InChI | InChI=1S/BrH.H4N2/c;1-2/h1H;1-2H2 |
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| InChIKey | DVHXJLRODLTJOD-UHFFFAOYSA-N |
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| XLogP | -4.89 |
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| TPSA | 53.66 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 112.96 |
| LogP ≤ 5 | -4.89 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of aminoazanium bromide?
The IUPAC name of aminoazanium bromide (CID 57430858) is aminoazanium bromide.
What is the SMILES notation for aminoazanium bromide?
The canonical SMILES for aminoazanium bromide is N[NH3+].[Br-].
What is the InChIKey of aminoazanium bromide?
The InChIKey is DVHXJLRODLTJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/BrH.H4N2/c;1-2/h1H;1-2H2.
What are the key properties of aminoazanium bromide?
aminoazanium bromide has a molecular weight of 112.96 g/mol, XLogP of -4.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium bromide is sourced from PubChem (CID 57430858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).