boric acid;2-(2-hydroxyethoxyamino)oxyethanol

C4H14BNO7 — CID 87087143

IUPACboric acid;2-(2-hydroxyethoxyamino)oxyethanol
SMILESOB(O)O.OCCONOCCO
InChIInChI=1S/C4H11NO4.BH3O3/c6-1-3-8-5-9-4-2-7;2-1(3)4/h5-7H,1-4H2;2-4H
InChIKeyYFOXWXTVXIZKNV-UHFFFAOYSA-N
MW198.97 g/mol
LogP-3.63
Rot. Bonds6

About boric acid;2-(2-hydroxyethoxyamino)oxyethanol

boric acid;2-(2-hydroxyethoxyamino)oxyethanol (PubChem CID 87087143) has the molecular formula C4H14BNO7 and a molecular weight of 198.97 g/mol. Its IUPAC name is boric acid;2-(2-hydroxyethoxyamino)oxyethanol.

Molecular Properties

Compound Nameboric acid;2-(2-hydroxyethoxyamino)oxyethanol
PubChem CID87087143
Molecular FormulaC4H14BNO7
Molecular Weight198.97 g/mol
Exact Mass199.09
IUPAC Nameboric acid;2-(2-hydroxyethoxyamino)oxyethanol
SMILESOB(O)O.OCCONOCCO
InChIInChI=1S/C4H11NO4.BH3O3/c6-1-3-8-5-9-4-2-7;2-1(3)4/h5-7H,1-4H2;2-4H
InChIKeyYFOXWXTVXIZKNV-UHFFFAOYSA-N
XLogP-3.63
TPSA131.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.97
LogP ≤ 5-3.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper;2-(2-hydroxyethoxyamino)oxyethanol
CID 87653239
butanedioic acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 87299347
2-amino-2-methylpropan-1-ol;2-(2-hydroxyethoxyamino)oxyethanol
CID 88811869
dodecan-1-ol;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
CID 174294727
sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
CID 174822992
2-aminooxyethanol;boric acid
CID 87330032
N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol
CID 174909263
3-(carboxymethylperoxy)-3-oxopropanoic acid;2-(2-hydroxyethoxyamino)oxyethanol
CID 173447609
dodecan-1-amine;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
CID 175057935
2-(2-hydroxyethoxyamino)oxyethanol;tetradecyl hydrogen sulfate
CID 87776061
N-(2-hydroxyethoxy)formamide
CID 57258279
N-[2-(2-hydroxyethoxy)ethyl]-methylboronamidic acid
CID 123589940

Frequently Asked Questions

What is the IUPAC name of boric acid;2-(2-hydroxyethoxyamino)oxyethanol?
The IUPAC name of boric acid;2-(2-hydroxyethoxyamino)oxyethanol (CID 87087143) is boric acid;2-(2-hydroxyethoxyamino)oxyethanol.
What is the SMILES notation for boric acid;2-(2-hydroxyethoxyamino)oxyethanol?
The canonical SMILES for boric acid;2-(2-hydroxyethoxyamino)oxyethanol is OB(O)O.OCCONOCCO.
What is the InChIKey of boric acid;2-(2-hydroxyethoxyamino)oxyethanol?
The InChIKey is YFOXWXTVXIZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4.BH3O3/c6-1-3-8-5-9-4-2-7;2-1(3)4/h5-7H,1-4H2;2-4H.
What are the key properties of boric acid;2-(2-hydroxyethoxyamino)oxyethanol?
boric acid;2-(2-hydroxyethoxyamino)oxyethanol has a molecular weight of 198.97 g/mol, XLogP of -3.63, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-(2-hydroxyethoxyamino)oxyethanol is sourced from PubChem (CID 87087143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).