azanium;sodium;acetate;nitrate

C2H7N2NaO5 — CID 141287882

IUPACazanium;sodium;acetate;nitrate
SMILESCC(=O)[O-].O=[N+]([O-])[O-].[NH4+].[Na+]
InChIInChI=1S/C2H4O2.NO3.H3N.Na/c1-2(3)4;2-1(3)4;;/h1H3,(H,3,4);;1H3;/q;-1;;+1
InChIKeyAMWZCJMQTHUUQU-UHFFFAOYSA-N
MW162.08 g/mol
LogP-4.10
Rot. Bonds

About azanium;sodium;acetate;nitrate

azanium;sodium;acetate;nitrate (PubChem CID 141287882) has the molecular formula C2H7N2NaO5 and a molecular weight of 162.08 g/mol. Its IUPAC name is azanium;sodium;acetate;nitrate.

Molecular Properties

Compound Nameazanium;sodium;acetate;nitrate
PubChem CID141287882
Molecular FormulaC2H7N2NaO5
Molecular Weight162.08 g/mol
Exact Mass162.03
IUPAC Nameazanium;sodium;acetate;nitrate
SMILESCC(=O)[O-].O=[N+]([O-])[O-].[NH4+].[Na+]
InChIInChI=1S/C2H4O2.NO3.H3N.Na/c1-2(3)4;2-1(3)4;;/h1H3,(H,3,4);;1H3;/q;-1;;+1
InChIKeyAMWZCJMQTHUUQU-UHFFFAOYSA-N
XLogP-4.10
TPSA142.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 5-4.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

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CID 171618284
bis(cerium(3+));acetate;nitrate
CID 22023657
calcium;acetate;nitrate
CID 175242971
hydrazine;silver;acetate;nitrate
CID 175333281
nonasodium;nonaacetate
CID 173443222
nitric acid;bis(ruthenium(3+));hexaacetate
CID 172717903
calcium;sodium;carbonate;nitrate
CID 158157140
bis(cadmium(2+));acetate;bromide
CID 172734045
trisodium;acetate;carbonate
CID 169079974
potassium;sodium;diacetate
CID 21470705
sodium;hydron;triacetate
CID 173121634
cadmium(2+);acetate;chloride
CID 160756962

Frequently Asked Questions

What is the IUPAC name of azanium;sodium;acetate;nitrate?
The IUPAC name of azanium;sodium;acetate;nitrate (CID 141287882) is azanium;sodium;acetate;nitrate.
What is the SMILES notation for azanium;sodium;acetate;nitrate?
The canonical SMILES for azanium;sodium;acetate;nitrate is CC(=O)[O-].O=[N+]([O-])[O-].[NH4+].[Na+].
What is the InChIKey of azanium;sodium;acetate;nitrate?
The InChIKey is AMWZCJMQTHUUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.NO3.H3N.Na/c1-2(3)4;2-1(3)4;;/h1H3,(H,3,4);;1H3;/q;-1;;+1.
What are the key properties of azanium;sodium;acetate;nitrate?
azanium;sodium;acetate;nitrate has a molecular weight of 162.08 g/mol, XLogP of -4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;sodium;acetate;nitrate is sourced from PubChem (CID 141287882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).