About tris(ethane-1,2-diamine);bis(nitric acid)
tris(ethane-1,2-diamine);bis(nitric acid) (PubChem CID 18991857) has the molecular formula C6H26N8O6
and a molecular weight of 306.32 g/mol. Its IUPAC name is tris(ethane-1,2-diamine);bis(nitric acid).
Molecular Properties
| Compound Name | tris(ethane-1,2-diamine);bis(nitric acid) |
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| PubChem CID | 18991857 |
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| Molecular Formula | C6H26N8O6 |
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| Molecular Weight | 306.32 g/mol |
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| Exact Mass | 306.20 |
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| IUPAC Name | tris(ethane-1,2-diamine);bis(nitric acid) |
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| SMILES | NCCN.NCCN.NCCN.O=[N+]([O-])O.O=[N+]([O-])O |
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| InChI | InChI=1S/3C2H8N2.2HNO3/c3*3-1-2-4;2*2-1(3)4/h3*1-4H2;2*(H,2,3,4) |
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| InChIKey | XCDNDBIBTCVZTC-UHFFFAOYSA-N |
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| XLogP | -3.98 |
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| TPSA | 282.86 Ų |
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| H-Bond Donors | 8 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 20 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 306.32 |
| LogP ≤ 5 | -3.98 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', '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 tris(ethane-1,2-diamine);bis(nitric acid)?
The IUPAC name of tris(ethane-1,2-diamine);bis(nitric acid) (CID 18991857) is tris(ethane-1,2-diamine);bis(nitric acid).
What is the SMILES notation for tris(ethane-1,2-diamine);bis(nitric acid)?
The canonical SMILES for tris(ethane-1,2-diamine);bis(nitric acid) is NCCN.NCCN.NCCN.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of tris(ethane-1,2-diamine);bis(nitric acid)?
The InChIKey is XCDNDBIBTCVZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H8N2.2HNO3/c3*3-1-2-4;2*2-1(3)4/h3*1-4H2;2*(H,2,3,4).
What are the key properties of tris(ethane-1,2-diamine);bis(nitric acid)?
tris(ethane-1,2-diamine);bis(nitric acid) has a molecular weight of 306.32 g/mol, XLogP of -3.98, 3 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethane-1,2-diamine);bis(nitric acid) is sourced from PubChem (CID 18991857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).