sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate

C6H21N2NaO5 — CID 173310471

IUPACsodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
SMILESN.O.OCCN(CCO)CCO.[Na+].[OH-]
InChIInChI=1S/C6H15NO3.H3N.Na.2H2O/c8-4-1-7(2-5-9)3-6-10;;;;/h8-10H,1-6H2;1H3;;2*1H2/q;;+1;;/p-1
InChIKeyYWIGQDPJBGNJJJ-UHFFFAOYSA-M
MW224.23 g/mol
LogP-5.57
Rot. Bonds6

About sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate

sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate (PubChem CID 173310471) has the molecular formula C6H21N2NaO5 and a molecular weight of 224.23 g/mol. Its IUPAC name is sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate.

Molecular Properties

Compound Namesodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
PubChem CID173310471
Molecular FormulaC6H21N2NaO5
Molecular Weight224.23 g/mol
Exact Mass224.13
IUPAC Namesodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
SMILESN.O.OCCN(CCO)CCO.[Na+].[OH-]
InChIInChI=1S/C6H15NO3.H3N.Na.2H2O/c8-4-1-7(2-5-9)3-6-10;;;;/h8-10H,1-6H2;1H3;;2*1H2/q;;+1;;/p-1
InChIKeyYWIGQDPJBGNJJJ-UHFFFAOYSA-M
XLogP-5.57
TPSA160.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 5-5.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[bis(2-hydroxyethyl)amino]ethanol;silane
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copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681

Frequently Asked Questions

What is the IUPAC name of sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate?
The IUPAC name of sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate (CID 173310471) is sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate.
What is the SMILES notation for sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate?
The canonical SMILES for sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate is N.O.OCCN(CCO)CCO.[Na+].[OH-].
What is the InChIKey of sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate?
The InChIKey is YWIGQDPJBGNJJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3.H3N.Na.2H2O/c8-4-1-7(2-5-9)3-6-10;;;;/h8-10H,1-6H2;1H3;;2*1H2/q;;+1;;/p-1.
What are the key properties of sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate?
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate has a molecular weight of 224.23 g/mol, XLogP of -5.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate is sourced from PubChem (CID 173310471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).