hydrogen borate;bis(tetramethylazanium)

C8H25BN2O3 — CID 140968777

IUPAChydrogen borate;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[O-]B([O-])O
InChIInChI=1S/2C4H12N.BHO3/c2*1-5(2,3)4;2-1(3)4/h2*1-4H3;2H/q2*+1;-2
InChIKeyHZYCIRMILKNVSP-UHFFFAOYSA-N
MW208.11 g/mol
LogP-2.67
Rot. Bonds

About hydrogen borate;bis(tetramethylazanium)

hydrogen borate;bis(tetramethylazanium) (PubChem CID 140968777) has the molecular formula C8H25BN2O3 and a molecular weight of 208.11 g/mol. Its IUPAC name is hydrogen borate;bis(tetramethylazanium).

Molecular Properties

Compound Namehydrogen borate;bis(tetramethylazanium)
PubChem CID140968777
Molecular FormulaC8H25BN2O3
Molecular Weight208.11 g/mol
Exact Mass208.20
IUPAC Namehydrogen borate;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[O-]B([O-])O
InChIInChI=1S/2C4H12N.BHO3/c2*1-5(2,3)4;2-1(3)4/h2*1-4H3;2H/q2*+1;-2
InChIKeyHZYCIRMILKNVSP-UHFFFAOYSA-N
XLogP-2.67
TPSA66.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 5-2.67
H-Bond Donors ≤ 51
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 hydrogen borate;bis(tetramethylazanium)?
The IUPAC name of hydrogen borate;bis(tetramethylazanium) (CID 140968777) is hydrogen borate;bis(tetramethylazanium).
What is the SMILES notation for hydrogen borate;bis(tetramethylazanium)?
The canonical SMILES for hydrogen borate;bis(tetramethylazanium) is C[N+](C)(C)C.C[N+](C)(C)C.[O-]B([O-])O.
What is the InChIKey of hydrogen borate;bis(tetramethylazanium)?
The InChIKey is HZYCIRMILKNVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N.BHO3/c2*1-5(2,3)4;2-1(3)4/h2*1-4H3;2H/q2*+1;-2.
What are the key properties of hydrogen borate;bis(tetramethylazanium)?
hydrogen borate;bis(tetramethylazanium) has a molecular weight of 208.11 g/mol, XLogP of -2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen borate;bis(tetramethylazanium) is sourced from PubChem (CID 140968777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).