dihydrogen borate;trimethylazanium

C3H12BNO3 — CID 142675520

IUPACdihydrogen borate;trimethylazanium
SMILESC[NH+](C)C.[O-]B(O)O
InChIInChI=1S/C3H9N.BH2O3/c1-4(2)3;2-1(3)4/h1-3H3;2-3H/q;-1/p+1
InChIKeyFZZGAKVLPWYYIU-UHFFFAOYSA-O
MW120.94 g/mol
LogP-3.92
Rot. Bonds

About dihydrogen borate;trimethylazanium

dihydrogen borate;trimethylazanium (PubChem CID 142675520) has the molecular formula C3H12BNO3 and a molecular weight of 120.94 g/mol. Its IUPAC name is dihydrogen borate;trimethylazanium.

Molecular Properties

Compound Namedihydrogen borate;trimethylazanium
PubChem CID142675520
Molecular FormulaC3H12BNO3
Molecular Weight120.94 g/mol
Exact Mass121.09
IUPAC Namedihydrogen borate;trimethylazanium
SMILESC[NH+](C)C.[O-]B(O)O
InChIInChI=1S/C3H9N.BH2O3/c1-4(2)3;2-1(3)4/h1-3H3;2-3H/q;-1/p+1
InChIKeyFZZGAKVLPWYYIU-UHFFFAOYSA-O
XLogP-3.92
TPSA67.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.94
LogP ≤ 5-3.92
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 dihydrogen borate;trimethylazanium?
The IUPAC name of dihydrogen borate;trimethylazanium (CID 142675520) is dihydrogen borate;trimethylazanium.
What is the SMILES notation for dihydrogen borate;trimethylazanium?
The canonical SMILES for dihydrogen borate;trimethylazanium is C[NH+](C)C.[O-]B(O)O.
What is the InChIKey of dihydrogen borate;trimethylazanium?
The InChIKey is FZZGAKVLPWYYIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.BH2O3/c1-4(2)3;2-1(3)4/h1-3H3;2-3H/q;-1/p+1.
What are the key properties of dihydrogen borate;trimethylazanium?
dihydrogen borate;trimethylazanium has a molecular weight of 120.94 g/mol, XLogP of -3.92, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen borate;trimethylazanium is sourced from PubChem (CID 142675520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).