boric acid;N,N-dimethylmethanamine

C3H12BNO3 — CID 87240079

IUPACboric acid;N,N-dimethylmethanamine
SMILESCN(C)C.OB(O)O
InChIInChI=1S/C3H9N.BH3O3/c1-4(2)3;2-1(3)4/h1-3H3;2-4H
InChIKeyLYSQGYSICZCRKO-UHFFFAOYSA-N
MW120.94 g/mol
LogP-1.87
Rot. Bonds

About boric acid;N,N-dimethylmethanamine

boric acid;N,N-dimethylmethanamine (PubChem CID 87240079) has the molecular formula C3H12BNO3 and a molecular weight of 120.94 g/mol. Its IUPAC name is boric acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Nameboric acid;N,N-dimethylmethanamine
PubChem CID87240079
Molecular FormulaC3H12BNO3
Molecular Weight120.94 g/mol
Exact Mass121.09
IUPAC Nameboric acid;N,N-dimethylmethanamine
SMILESCN(C)C.OB(O)O
InChIInChI=1S/C3H9N.BH3O3/c1-4(2)3;2-1(3)4/h1-3H3;2-4H
InChIKeyLYSQGYSICZCRKO-UHFFFAOYSA-N
XLogP-1.87
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.94
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;N,N-dimethylmethanamine?
The IUPAC name of boric acid;N,N-dimethylmethanamine (CID 87240079) is boric acid;N,N-dimethylmethanamine.
What is the SMILES notation for boric acid;N,N-dimethylmethanamine?
The canonical SMILES for boric acid;N,N-dimethylmethanamine is CN(C)C.OB(O)O.
What is the InChIKey of boric acid;N,N-dimethylmethanamine?
The InChIKey is LYSQGYSICZCRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.BH3O3/c1-4(2)3;2-1(3)4/h1-3H3;2-4H.
What are the key properties of boric acid;N,N-dimethylmethanamine?
boric acid;N,N-dimethylmethanamine has a molecular weight of 120.94 g/mol, XLogP of -1.87, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;N,N-dimethylmethanamine is sourced from PubChem (CID 87240079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).