2-(2-hydroxyethoxy)ethylazanium nitrate

C4H12N2O5 — CID 134716125

IUPAC2-(2-hydroxyethoxy)ethylazanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]CCOCCO
InChIInChI=1S/C4H11NO2.NO3/c5-1-3-7-4-2-6;2-1(3)4/h6H,1-5H2;/q;-1/p+1
InChIKeyXDKAZVNULACPCX-UHFFFAOYSA-O
MW168.15 g/mol
LogP-2.00
Rot. Bonds4

About 2-(2-hydroxyethoxy)ethylazanium nitrate

2-(2-hydroxyethoxy)ethylazanium nitrate (PubChem CID 134716125) has the molecular formula C4H12N2O5 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethylazanium nitrate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethylazanium nitrate
PubChem CID134716125
Molecular FormulaC4H12N2O5
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name2-(2-hydroxyethoxy)ethylazanium nitrate
SMILESO=[N+]([O-])[O-].[NH3+]CCOCCO
InChIInChI=1S/C4H11NO2.NO3/c5-1-3-7-4-2-6;2-1(3)4/h6H,1-5H2;/q;-1/p+1
InChIKeyXDKAZVNULACPCX-UHFFFAOYSA-O
XLogP-2.00
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-aminoethanol;2-nitrooxyethylazanium;nitrate
CID 160840712
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
CID 159345993
CID 159345993
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
silver;ethane-1,2-diol;nitrate
CID 87126324
magnesium;hydride;2-(2-hydroxyethoxy)ethanol
CID 175108032
cadmium(2+);2-(2-hydroxyethoxy)ethanol;bis(trifluoromethane)
CID 134901783
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
deuteriomethane;2-(2-hydroxyethoxy)ethanol
CID 86287438
bismuth;ethane-1,2-diol;trinitrate;pentahydrate
CID 158381527

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethylazanium nitrate?
The IUPAC name of 2-(2-hydroxyethoxy)ethylazanium nitrate (CID 134716125) is 2-(2-hydroxyethoxy)ethylazanium nitrate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethylazanium nitrate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethylazanium nitrate is O=[N+]([O-])[O-].[NH3+]CCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethylazanium nitrate?
The InChIKey is XDKAZVNULACPCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO2.NO3/c5-1-3-7-4-2-6;2-1(3)4/h6H,1-5H2;/q;-1/p+1.
What are the key properties of 2-(2-hydroxyethoxy)ethylazanium nitrate?
2-(2-hydroxyethoxy)ethylazanium nitrate has a molecular weight of 168.15 g/mol, XLogP of -2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethylazanium nitrate is sourced from PubChem (CID 134716125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).