boric acid;tris(N-methylmethanamine)

C6H24BN3O3 — CID 172826452

IUPACboric acid;tris(N-methylmethanamine)
SMILESCNC.CNC.CNC.OB(O)O
InChIInChI=1S/3C2H7N.BH3O3/c3*1-3-2;2-1(3)4/h3*3H,1-2H3;2-4H
InChIKeyUXTVYSQBUSKASC-UHFFFAOYSA-N
MW197.09 g/mol
LogP-2.55
Rot. Bonds

About boric acid;tris(N-methylmethanamine)

boric acid;tris(N-methylmethanamine) (PubChem CID 172826452) has the molecular formula C6H24BN3O3 and a molecular weight of 197.09 g/mol. Its IUPAC name is boric acid;tris(N-methylmethanamine).

Molecular Properties

Compound Nameboric acid;tris(N-methylmethanamine)
PubChem CID172826452
Molecular FormulaC6H24BN3O3
Molecular Weight197.09 g/mol
Exact Mass197.19
IUPAC Nameboric acid;tris(N-methylmethanamine)
SMILESCNC.CNC.CNC.OB(O)O
InChIInChI=1S/3C2H7N.BH3O3/c3*1-3-2;2-1(3)4/h3*3H,1-2H3;2-4H
InChIKeyUXTVYSQBUSKASC-UHFFFAOYSA-N
XLogP-2.55
TPSA96.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.09
LogP ≤ 5-2.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 boric acid;tris(N-methylmethanamine)?
The IUPAC name of boric acid;tris(N-methylmethanamine) (CID 172826452) is boric acid;tris(N-methylmethanamine).
What is the SMILES notation for boric acid;tris(N-methylmethanamine)?
The canonical SMILES for boric acid;tris(N-methylmethanamine) is CNC.CNC.CNC.OB(O)O.
What is the InChIKey of boric acid;tris(N-methylmethanamine)?
The InChIKey is UXTVYSQBUSKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7N.BH3O3/c3*1-3-2;2-1(3)4/h3*3H,1-2H3;2-4H.
What are the key properties of boric acid;tris(N-methylmethanamine)?
boric acid;tris(N-methylmethanamine) has a molecular weight of 197.09 g/mol, XLogP of -2.55, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;tris(N-methylmethanamine) is sourced from PubChem (CID 172826452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).