tris(trimethylazanium);borate

C9H30BN3O3 — CID 23174742

IUPACtris(trimethylazanium);borate
SMILESC[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[O-]B([O-])[O-]
InChIInChI=1S/3C3H9N.BO3/c3*1-4(2)3;2-1(3)4/h3*1-3H3;/q;;;-3/p+3
InChIKeyOYUUDLAWUDMVAB-UHFFFAOYSA-Q
MW239.17 g/mol
LogP-7.67
Rot. Bonds

About tris(trimethylazanium);borate

tris(trimethylazanium);borate (PubChem CID 23174742) has the molecular formula C9H30BN3O3 and a molecular weight of 239.17 g/mol. Its IUPAC name is tris(trimethylazanium);borate.

Molecular Properties

Compound Nametris(trimethylazanium);borate
PubChem CID23174742
Molecular FormulaC9H30BN3O3
Molecular Weight239.17 g/mol
Exact Mass239.24
IUPAC Nametris(trimethylazanium);borate
SMILESC[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[O-]B([O-])[O-]
InChIInChI=1S/3C3H9N.BO3/c3*1-4(2)3;2-1(3)4/h3*1-3H3;/q;;;-3/p+3
InChIKeyOYUUDLAWUDMVAB-UHFFFAOYSA-Q
XLogP-7.67
TPSA82.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 5-7.67
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 tris(trimethylazanium);borate?
The IUPAC name of tris(trimethylazanium);borate (CID 23174742) is tris(trimethylazanium);borate.
What is the SMILES notation for tris(trimethylazanium);borate?
The canonical SMILES for tris(trimethylazanium);borate is C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[O-]B([O-])[O-].
What is the InChIKey of tris(trimethylazanium);borate?
The InChIKey is OYUUDLAWUDMVAB-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C3H9N.BO3/c3*1-4(2)3;2-1(3)4/h3*1-3H3;/q;;;-3/p+3.
What are the key properties of tris(trimethylazanium);borate?
tris(trimethylazanium);borate has a molecular weight of 239.17 g/mol, XLogP of -7.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylazanium);borate is sourced from PubChem (CID 23174742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).