bis(2-hydroxyethyl)azanium nitrite

C4H12N2O4 — CID 87299481

IUPACbis(2-hydroxyethyl)azanium nitrite
SMILESO=N[O-].OCC[NH2+]CCO
InChIInChI=1S/C4H11NO2.HNO2/c6-3-1-5-2-4-7;2-1-3/h5-7H,1-4H2;(H,2,3)
InChIKeyOSPQEKXMIVHIQE-UHFFFAOYSA-N
MW152.15 g/mol
LogP-2.21
Rot. Bonds4

About bis(2-hydroxyethyl)azanium nitrite

bis(2-hydroxyethyl)azanium nitrite (PubChem CID 87299481) has the molecular formula C4H12N2O4 and a molecular weight of 152.15 g/mol. Its IUPAC name is bis(2-hydroxyethyl)azanium nitrite.

Molecular Properties

Compound Namebis(2-hydroxyethyl)azanium nitrite
PubChem CID87299481
Molecular FormulaC4H12N2O4
Molecular Weight152.15 g/mol
Exact Mass152.08
IUPAC Namebis(2-hydroxyethyl)azanium nitrite
SMILESO=N[O-].OCC[NH2+]CCO
InChIInChI=1S/C4H11NO2.HNO2/c6-3-1-5-2-4-7;2-1-3/h5-7H,1-4H2;(H,2,3)
InChIKeyOSPQEKXMIVHIQE-UHFFFAOYSA-N
XLogP-2.21
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)azanium nitrite?
The IUPAC name of bis(2-hydroxyethyl)azanium nitrite (CID 87299481) is bis(2-hydroxyethyl)azanium nitrite.
What is the SMILES notation for bis(2-hydroxyethyl)azanium nitrite?
The canonical SMILES for bis(2-hydroxyethyl)azanium nitrite is O=N[O-].OCC[NH2+]CCO.
What is the InChIKey of bis(2-hydroxyethyl)azanium nitrite?
The InChIKey is OSPQEKXMIVHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.HNO2/c6-3-1-5-2-4-7;2-1-3/h5-7H,1-4H2;(H,2,3).
What are the key properties of bis(2-hydroxyethyl)azanium nitrite?
bis(2-hydroxyethyl)azanium nitrite has a molecular weight of 152.15 g/mol, XLogP of -2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)azanium nitrite is sourced from PubChem (CID 87299481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).