aluminum;boric acid;N-methylmethanamine;borate

C2H19AlB5NO15 — CID 172779602

IUPACaluminum;boric acid;N-methylmethanamine;borate
SMILESCNC.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[Al+3].[O-]B([O-])[O-]
InChIInChI=1S/C2H7N.Al.4BH3O3.BO3/c1-3-2;;5*2-1(3)4/h3H,1-2H3;;4*2-4H;/q;+3;;;;;-3
InChIKeyOBPRKPZPFAHVRP-UHFFFAOYSA-N
MW378.21 g/mol
LogP-12.70
Rot. Bonds

About aluminum;boric acid;N-methylmethanamine;borate

aluminum;boric acid;N-methylmethanamine;borate (PubChem CID 172779602) has the molecular formula C2H19AlB5NO15 and a molecular weight of 378.21 g/mol. Its IUPAC name is aluminum;boric acid;N-methylmethanamine;borate.

Molecular Properties

Compound Namealuminum;boric acid;N-methylmethanamine;borate
PubChem CID172779602
Molecular FormulaC2H19AlB5NO15
Molecular Weight378.21 g/mol
Exact Mass379.10
IUPAC Namealuminum;boric acid;N-methylmethanamine;borate
SMILESCNC.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[Al+3].[O-]B([O-])[O-]
InChIInChI=1S/C2H7N.Al.4BH3O3.BO3/c1-3-2;;5*2-1(3)4/h3H,1-2H3;;4*2-4H;/q;+3;;;;;-3
InChIKeyOBPRKPZPFAHVRP-UHFFFAOYSA-N
XLogP-12.70
TPSA323.97 Ų
H-Bond Donors13
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500378.21
LogP ≤ 5-12.70
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1016

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 aluminum;boric acid;N-methylmethanamine;borate?
The IUPAC name of aluminum;boric acid;N-methylmethanamine;borate (CID 172779602) is aluminum;boric acid;N-methylmethanamine;borate.
What is the SMILES notation for aluminum;boric acid;N-methylmethanamine;borate?
The canonical SMILES for aluminum;boric acid;N-methylmethanamine;borate is CNC.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[Al+3].[O-]B([O-])[O-].
What is the InChIKey of aluminum;boric acid;N-methylmethanamine;borate?
The InChIKey is OBPRKPZPFAHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.Al.4BH3O3.BO3/c1-3-2;;5*2-1(3)4/h3H,1-2H3;;4*2-4H;/q;+3;;;;;-3.
What are the key properties of aluminum;boric acid;N-methylmethanamine;borate?
aluminum;boric acid;N-methylmethanamine;borate has a molecular weight of 378.21 g/mol, XLogP of -12.70, 0 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;boric acid;N-methylmethanamine;borate is sourced from PubChem (CID 172779602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).