dihydrogen borate;tetramethylazanium

C4H14BNO3 — CID 22446372

IUPACdihydrogen borate;tetramethylazanium
SMILESC[N+](C)(C)C.[O-]B(O)O
InChIInChI=1S/C4H12N.BH2O3/c1-5(2,3)4;2-1(3)4/h1-4H3;2-3H/q+1;-1
InChIKeyFYFQMLTUDHINDJ-UHFFFAOYSA-N
MW134.97 g/mol
LogP-2.36
Rot. Bonds

About dihydrogen borate;tetramethylazanium

dihydrogen borate;tetramethylazanium (PubChem CID 22446372) has the molecular formula C4H14BNO3 and a molecular weight of 134.97 g/mol. Its IUPAC name is dihydrogen borate;tetramethylazanium.

Molecular Properties

Compound Namedihydrogen borate;tetramethylazanium
PubChem CID22446372
Molecular FormulaC4H14BNO3
Molecular Weight134.97 g/mol
Exact Mass135.11
IUPAC Namedihydrogen borate;tetramethylazanium
SMILESC[N+](C)(C)C.[O-]B(O)O
InChIInChI=1S/C4H12N.BH2O3/c1-5(2,3)4;2-1(3)4/h1-4H3;2-3H/q+1;-1
InChIKeyFYFQMLTUDHINDJ-UHFFFAOYSA-N
XLogP-2.36
TPSA63.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.97
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydrogen borate;tetramethylazanium?
The IUPAC name of dihydrogen borate;tetramethylazanium (CID 22446372) is dihydrogen borate;tetramethylazanium.
What is the SMILES notation for dihydrogen borate;tetramethylazanium?
The canonical SMILES for dihydrogen borate;tetramethylazanium is C[N+](C)(C)C.[O-]B(O)O.
What is the InChIKey of dihydrogen borate;tetramethylazanium?
The InChIKey is FYFQMLTUDHINDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.BH2O3/c1-5(2,3)4;2-1(3)4/h1-4H3;2-3H/q+1;-1.
What are the key properties of dihydrogen borate;tetramethylazanium?
dihydrogen borate;tetramethylazanium has a molecular weight of 134.97 g/mol, XLogP of -2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen borate;tetramethylazanium is sourced from PubChem (CID 22446372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).