sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate

C6H15N2NaO6 — CID 159119713

IUPACsodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate
SMILESO=[N+]([O-])[O-].OCCN(CCO)CCO.[Na+]
InChIInChI=1S/C6H15NO3.NO3.Na/c8-4-1-7(2-5-9)3-6-10;2-1(3)4;/h8-10H,1-6H2;;/q;-1;+1
InChIKeyKFNPKMUFIAXKPE-UHFFFAOYSA-N
MW234.18 g/mol
LogP-4.97
Rot. Bonds6

About sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate

sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate (PubChem CID 159119713) has the molecular formula C6H15N2NaO6 and a molecular weight of 234.18 g/mol. Its IUPAC name is sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate.

Molecular Properties

Compound Namesodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate
PubChem CID159119713
Molecular FormulaC6H15N2NaO6
Molecular Weight234.18 g/mol
Exact Mass234.08
IUPAC Namesodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate
SMILESO=[N+]([O-])[O-].OCCN(CCO)CCO.[Na+]
InChIInChI=1S/C6H15NO3.NO3.Na/c8-4-1-7(2-5-9)3-6-10;2-1(3)4;/h8-10H,1-6H2;;/q;-1;+1
InChIKeyKFNPKMUFIAXKPE-UHFFFAOYSA-N
XLogP-4.97
TPSA130.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-4.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

dicopper;bis(2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanolate);dinitrate
CID 139142088
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;tris(nitric acid);phosphono dihydrogen phosphate;phosphoric acid
CID 173068563
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;boric acid;dihydrogen borate
CID 159715146
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
silver;ethane-1,2-diol;nitrate
CID 87126324

Frequently Asked Questions

What is the IUPAC name of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate?
The IUPAC name of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate (CID 159119713) is sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate.
What is the SMILES notation for sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate?
The canonical SMILES for sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate is O=[N+]([O-])[O-].OCCN(CCO)CCO.[Na+].
What is the InChIKey of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate?
The InChIKey is KFNPKMUFIAXKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.NO3.Na/c8-4-1-7(2-5-9)3-6-10;2-1(3)4;/h8-10H,1-6H2;;/q;-1;+1.
What are the key properties of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate?
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate has a molecular weight of 234.18 g/mol, XLogP of -4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[bis(2-hydroxyethyl)amino]ethanol;nitrate is sourced from PubChem (CID 159119713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).