bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid

C14H37BN2O9 — CID 173449988

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid
SMILESCCOB(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/2C6H15NO3.C2H7BO3/c2*8-4-1-7(2-5-9)3-6-10;1-2-6-3(4)5/h2*8-10H,1-6H2;4-5H,2H2,1H3
InChIKeyNGSYEOUDWWFBPX-UHFFFAOYSA-N
MW388.27 g/mol
LogP-4.48
Rot. Bonds14

About bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid

bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid (PubChem CID 173449988) has the molecular formula C14H37BN2O9 and a molecular weight of 388.27 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid.

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid
PubChem CID173449988
Molecular FormulaC14H37BN2O9
Molecular Weight388.27 g/mol
Exact Mass388.26
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid
SMILESCCOB(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/2C6H15NO3.C2H7BO3/c2*8-4-1-7(2-5-9)3-6-10;1-2-6-3(4)5/h2*8-10H,1-6H2;4-5H,2H2,1H3
InChIKeyNGSYEOUDWWFBPX-UHFFFAOYSA-N
XLogP-4.48
TPSA177.55 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500388.27
LogP ≤ 5-4.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Boric acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:?)
CID 160912
Boric acid (H3BO3), compd. with 2,2',2''-nitrilotris[ethanol] (1:3)
CID 155128
Tricholine borate
CID 21155832
2,2',2''-Nitrilotriethanol, monoester with boric acid
CID 105596
Dihydrogen borate;2-hydroxyethyl(trimethyl)azanium
CID 170842935
2-[2-[Bis(2-hydroxyethyl)-methylazaniumyl]ethyl-methylamino]ethyl-bis(2-hydroxyethyl)-methylazanium
CID 46932
Bis((2,2'-(methylimino)bis(ethanolato))(1-)-N,O)bis((2,2'-(methylimino)bis(ethanolato))(2-)-O)zirconium
CID 71301328
Tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanolate);zirconium(4+)
CID 170847251
Bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)
CID 170850224
Bis(bis(2-hydroxyethyl)-dimethylazanium);sulfate
CID 14718013
Bis(2-hydroxyethyl)-dimethylazanium;oxido(oxo)borane
CID 14746835
Ethyl-tris(2-hydroxyethyl)azanium hydroxide
CID 14767686

Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid (CID 173449988) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid.
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid is CCOB(O)O.OCCN(CCO)CCO.OCCN(CCO)CCO.
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid?
The InChIKey is NGSYEOUDWWFBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO3.C2H7BO3/c2*8-4-1-7(2-5-9)3-6-10;1-2-6-3(4)5/h2*8-10H,1-6H2;4-5H,2H2,1H3.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid has a molecular weight of 388.27 g/mol, XLogP of -4.48, 14 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);ethoxyboronic acid is sourced from PubChem (CID 173449988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).