2-azaniumylethylazanium phosphate

C2H10N2O4P- — CID 139598254

IUPAC2-azaniumylethylazanium phosphate
SMILESO=P([O-])([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)/p-1
InChIKeyZSFDBVJMDCMTBM-UHFFFAOYSA-M
MW157.09 g/mol
LogP-5.35
Rot. Bonds1

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 Name2-azaniumylethylazanium phosphate
PubChem CID139598254
Molecular FormulaC2H10N2O4P-
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2-azaniumylethylazanium phosphate
SMILESO=P([O-])([O-])[O-].[NH3+]CC[NH3+]
InChIInChI=1S/C2H8N2.H3O4P/c3-1-2-4;1-5(2,3)4/h1-4H2;(H3,1,2,3,4)/p-1
InChIKeyZSFDBVJMDCMTBM-UHFFFAOYSA-M
XLogP-5.35
TPSA141.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 5-5.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triazanium;propylazanium;diphosphate
CID 154732334
tris(thorium(4+));tetraphosphate
CID 21475626
molybdenum diphosphate
CID 22395595
octadecaazanium;hexaphosphate
CID 158249396
CID 23618823
CID 23618823
methane phosphate
CID 22352647
sodium phosphate
CID 21225609
CID 23618830
CID 23618830
zinc phosphate
CID 131721340
dipotassium diphosphate
CID 18612384
hydron;phosphate
CID 19972274
gadolinium phosphate
CID 6365243

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).