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

C6H15ClNNaO3 — CID 23700456

IUPACsodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
SMILESOCCN(CCO)CCO.[Cl-].[Na+]
InChIInChI=1S/C6H15NO3.ClH.Na/c8-4-1-7(2-5-9)3-6-10;;/h8-10H,1-6H2;1H;/q;;+1/p-1
InChIKeyUEUYEWLWWIWPLC-UHFFFAOYSA-M
MW207.63 g/mol
LogP-7.73
Rot. Bonds6

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

sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride (PubChem CID 23700456) has the molecular formula C6H15ClNNaO3 and a molecular weight of 207.63 g/mol. Its IUPAC name is sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride.

Molecular Properties

Compound Namesodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
PubChem CID23700456
Molecular FormulaC6H15ClNNaO3
Molecular Weight207.63 g/mol
Exact Mass207.06
IUPAC Namesodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
SMILESOCCN(CCO)CCO.[Cl-].[Na+]
InChIInChI=1S/C6H15NO3.ClH.Na/c8-4-1-7(2-5-9)3-6-10;;/h8-10H,1-6H2;1H;/q;;+1/p-1
InChIKeyUEUYEWLWWIWPLC-UHFFFAOYSA-M
XLogP-7.73
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.63
LogP ≤ 5-7.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
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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
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride?
The IUPAC name of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride (CID 23700456) is sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride.
What is the SMILES notation for sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride?
The canonical SMILES for sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride is OCCN(CCO)CCO.[Cl-].[Na+].
What is the InChIKey of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride?
The InChIKey is UEUYEWLWWIWPLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3.ClH.Na/c8-4-1-7(2-5-9)3-6-10;;/h8-10H,1-6H2;1H;/q;;+1/p-1.
What are the key properties of sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride?
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride has a molecular weight of 207.63 g/mol, XLogP of -7.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride is sourced from PubChem (CID 23700456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).