boric acid;dihydrogen borate;tetramethylazanium

C4H20B3NO9 — CID 173222495

IUPACboric acid;dihydrogen borate;tetramethylazanium
SMILESC[N+](C)(C)C.OB(O)O.OB(O)O.[O-]B(O)O
InChIInChI=1S/C4H12N.2BH3O3.BH2O3/c1-5(2,3)4;3*2-1(3)4/h1-4H3;2*2-4H;2-3H/q+1;;;-1
InChIKeySUCJVWOVDYYBFI-UHFFFAOYSA-N
MW258.64 g/mol
LogP-6.47
Rot. Bonds

About boric acid;dihydrogen borate;tetramethylazanium

boric acid;dihydrogen borate;tetramethylazanium (PubChem CID 173222495) has the molecular formula C4H20B3NO9 and a molecular weight of 258.64 g/mol. Its IUPAC name is boric acid;dihydrogen borate;tetramethylazanium.

Molecular Properties

Compound Nameboric acid;dihydrogen borate;tetramethylazanium
PubChem CID173222495
Molecular FormulaC4H20B3NO9
Molecular Weight258.64 g/mol
Exact Mass259.14
IUPAC Nameboric acid;dihydrogen borate;tetramethylazanium
SMILESC[N+](C)(C)C.OB(O)O.OB(O)O.[O-]B(O)O
InChIInChI=1S/C4H12N.2BH3O3.BH2O3/c1-5(2,3)4;3*2-1(3)4/h1-4H3;2*2-4H;2-3H/q+1;;;-1
InChIKeySUCJVWOVDYYBFI-UHFFFAOYSA-N
XLogP-6.47
TPSA184.90 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.64
LogP ≤ 5-6.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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disodium;boric acid;dihydrogen borate;fluoride
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lithium dihydrogen borate
CID 71774814
boric acid;sulfane
CID 173015947
sodium;dihydrogen borate;pentahydrate
CID 23715711
dihydrogen borate;bis(manganese(2+));borate
CID 159541187
pentacalcium;dihydrogen borate;triborate
CID 157490857
sodium;azane;dihydrogen borate
CID 172687370
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CID 157164950
zinc;dihydrogen borate;hydroxide
CID 159310168

Frequently Asked Questions

What is the IUPAC name of boric acid;dihydrogen borate;tetramethylazanium?
The IUPAC name of boric acid;dihydrogen borate;tetramethylazanium (CID 173222495) is boric acid;dihydrogen borate;tetramethylazanium.
What is the SMILES notation for boric acid;dihydrogen borate;tetramethylazanium?
The canonical SMILES for boric acid;dihydrogen borate;tetramethylazanium is C[N+](C)(C)C.OB(O)O.OB(O)O.[O-]B(O)O.
What is the InChIKey of boric acid;dihydrogen borate;tetramethylazanium?
The InChIKey is SUCJVWOVDYYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.2BH3O3.BH2O3/c1-5(2,3)4;3*2-1(3)4/h1-4H3;2*2-4H;2-3H/q+1;;;-1.
What are the key properties of boric acid;dihydrogen borate;tetramethylazanium?
boric acid;dihydrogen borate;tetramethylazanium has a molecular weight of 258.64 g/mol, XLogP of -6.47, 0 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;dihydrogen borate;tetramethylazanium is sourced from PubChem (CID 173222495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).