hydrogen borate;bis(trimethylazanium)

C6H21BN2O3 — CID 142675535

IUPAChydrogen borate;bis(trimethylazanium)
SMILESC[NH+](C)C.C[NH+](C)C.[O-]B([O-])O
InChIInChI=1S/2C3H9N.BHO3/c2*1-4(2)3;2-1(3)4/h2*1-3H3;2H/q;;-2/p+2
InChIKeyJTXPAKMFRLRLCW-UHFFFAOYSA-P
MW180.06 g/mol
LogP-5.79
Rot. Bonds

About hydrogen borate;bis(trimethylazanium)

hydrogen borate;bis(trimethylazanium) (PubChem CID 142675535) has the molecular formula C6H21BN2O3 and a molecular weight of 180.06 g/mol. Its IUPAC name is hydrogen borate;bis(trimethylazanium).

Molecular Properties

Compound Namehydrogen borate;bis(trimethylazanium)
PubChem CID142675535
Molecular FormulaC6H21BN2O3
Molecular Weight180.06 g/mol
Exact Mass180.16
IUPAC Namehydrogen borate;bis(trimethylazanium)
SMILESC[NH+](C)C.C[NH+](C)C.[O-]B([O-])O
InChIInChI=1S/2C3H9N.BHO3/c2*1-4(2)3;2-1(3)4/h2*1-3H3;2H/q;;-2/p+2
InChIKeyJTXPAKMFRLRLCW-UHFFFAOYSA-P
XLogP-5.79
TPSA75.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 5-5.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrogen borate;bis(trimethylazanium)?
The IUPAC name of hydrogen borate;bis(trimethylazanium) (CID 142675535) is hydrogen borate;bis(trimethylazanium).
What is the SMILES notation for hydrogen borate;bis(trimethylazanium)?
The canonical SMILES for hydrogen borate;bis(trimethylazanium) is C[NH+](C)C.C[NH+](C)C.[O-]B([O-])O.
What is the InChIKey of hydrogen borate;bis(trimethylazanium)?
The InChIKey is JTXPAKMFRLRLCW-UHFFFAOYSA-P. The full InChI is InChI=1S/2C3H9N.BHO3/c2*1-4(2)3;2-1(3)4/h2*1-3H3;2H/q;;-2/p+2.
What are the key properties of hydrogen borate;bis(trimethylazanium)?
hydrogen borate;bis(trimethylazanium) has a molecular weight of 180.06 g/mol, XLogP of -5.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen borate;bis(trimethylazanium) is sourced from PubChem (CID 142675535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).