bis(2-nitrooxyethyl)azanium nitrate

C4H10N4O9 — CID 56844149

IUPACbis(2-nitrooxyethyl)azanium nitrate
SMILESO=[N+]([O-])OCC[NH2+]CCO[N+](=O)[O-].O=[N+]([O-])[O-]
InChIInChI=1S/C4H9N3O6.NO3/c8-6(9)12-3-1-5-2-4-13-7(10)11;2-1(3)4/h5H,1-4H2;/q;-1/p+1
InChIKeyGOXLHPDLCTVHQE-UHFFFAOYSA-O
MW258.14 g/mol
LogP-2.27
Rot. Bonds8

About bis(2-nitrooxyethyl)azanium nitrate

bis(2-nitrooxyethyl)azanium nitrate (PubChem CID 56844149) has the molecular formula C4H10N4O9 and a molecular weight of 258.14 g/mol. Its IUPAC name is bis(2-nitrooxyethyl)azanium nitrate.

Molecular Properties

Compound Namebis(2-nitrooxyethyl)azanium nitrate
PubChem CID56844149
Molecular FormulaC4H10N4O9
Molecular Weight258.14 g/mol
Exact Mass258.04
IUPAC Namebis(2-nitrooxyethyl)azanium nitrate
SMILESO=[N+]([O-])OCC[NH2+]CCO[N+](=O)[O-].O=[N+]([O-])[O-]
InChIInChI=1S/C4H9N3O6.NO3/c8-6(9)12-3-1-5-2-4-13-7(10)11;2-1(3)4/h5H,1-4H2;/q;-1/p+1
InChIKeyGOXLHPDLCTVHQE-UHFFFAOYSA-O
XLogP-2.27
TPSA187.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 5-2.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(dibromonickel);bis(2-nitrooxyethyl nitrate)
CID 174625275
8-hydroxyoctyl nitrate
CID 146450783
2-nitrooxyethylphosphonic acid
CID 174730506
methoxy-(2-nitrooxyethoxy)-oxoazanium
CID 90990093
2-nitrooxyethyl formate
CID 14616602
2-aminoethanol;2-nitrooxyethylazanium;nitrate
CID 160840712
3,3,4,4,5,5,5-heptafluoropentyl nitrate
CID 154190196
6-methoxyhexyl nitrate
CID 25193534
2-[nitro-[2-[nitro(2-nitrooxyethyl)amino]ethyl]amino]ethyl nitrate
CID 87945340
3-aminopropyl nitrate;nitric acid
CID 22014591
3,4,4-trifluorobut-3-enyl nitrate
CID 19704280
2-(methylamino)ethyl nitrate;bis(nitric acid)
CID 24840569

Frequently Asked Questions

What is the IUPAC name of bis(2-nitrooxyethyl)azanium nitrate?
The IUPAC name of bis(2-nitrooxyethyl)azanium nitrate (CID 56844149) is bis(2-nitrooxyethyl)azanium nitrate.
What is the SMILES notation for bis(2-nitrooxyethyl)azanium nitrate?
The canonical SMILES for bis(2-nitrooxyethyl)azanium nitrate is O=[N+]([O-])OCC[NH2+]CCO[N+](=O)[O-].O=[N+]([O-])[O-].
What is the InChIKey of bis(2-nitrooxyethyl)azanium nitrate?
The InChIKey is GOXLHPDLCTVHQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N3O6.NO3/c8-6(9)12-3-1-5-2-4-13-7(10)11;2-1(3)4/h5H,1-4H2;/q;-1/p+1.
What are the key properties of bis(2-nitrooxyethyl)azanium nitrate?
bis(2-nitrooxyethyl)azanium nitrate has a molecular weight of 258.14 g/mol, XLogP of -2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-nitrooxyethyl)azanium nitrate is sourced from PubChem (CID 56844149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).