2-Azaniumylethylazanium phosphate

C₂H₁₀N₂O₄P- — CID 139598254

About 2-Azaniumylethylazanium phosphate

2-Azaniumylethylazanium phosphate (PubChem CID 139598254) has the molecular formula C₂H₁₀N₂O₄P- and a molecular weight of 157.09 g/mol. Its IUPAC name is 2-azaniumylethylazanium phosphate.

Molecular Properties

• Compound Name: 2-Azaniumylethylazanium phosphate
• PubChem CID: 139598254
• Molecular Formula: C₂H₁₀N₂O₄P-
• Molecular Weight: 157.09 g/mol
• Exact Mass: 157.04
• IUPAC Name: 2-azaniumylethylazanium phosphate
• SMILES: O=P([O-])([O-])[O-].[NH3+]CC[NH3+]
• InChI: InChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)/p-1
• InChIKey: ZSFDBVJMDCMTBM-UHFFFAOYSA-M
• XLogP: -5.35
• TPSA: 141.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.09
LogP ≤ 5	-5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-Azaniumylethylazanium phosphate?

The IUPAC name of 2-Azaniumylethylazanium phosphate (CID 139598254) is 2-azaniumylethylazanium phosphate.

What is the SMILES notation for 2-Azaniumylethylazanium phosphate?

The canonical SMILES for 2-Azaniumylethylazanium phosphate is O=P([O-])([O-])[O-].[NH3+]CC[NH3+].

What is the InChIKey of 2-Azaniumylethylazanium phosphate?

The InChIKey is ZSFDBVJMDCMTBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)/p-1.

What are the key properties of 2-Azaniumylethylazanium phosphate?

2-Azaniumylethylazanium phosphate has a molecular weight of 157.09 g/mol, XLogP of -5.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Azaniumylethylazanium phosphate is sourced from PubChem (CID 139598254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139598254 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.