boric acid;methylaminomethanol

C6H24BN3O6 — CID 161004501

IUPACboric acid;methylaminomethanol
SMILESCNCO.CNCO.CNCO.OB(O)O
InChIInChI=1S/3C2H7NO.BH3O3/c3*1-3-2-4;2-1(3)4/h3*3-4H,2H2,1H3;2-4H
InChIKeyTWIAWFLIJOWHFQ-UHFFFAOYSA-N
MW245.08 g/mol
LogP-4.59
Rot. Bonds3

About boric acid;methylaminomethanol

boric acid;methylaminomethanol (PubChem CID 161004501) has the molecular formula C6H24BN3O6 and a molecular weight of 245.08 g/mol. Its IUPAC name is boric acid;methylaminomethanol.

Molecular Properties

Compound Nameboric acid;methylaminomethanol
PubChem CID161004501
Molecular FormulaC6H24BN3O6
Molecular Weight245.08 g/mol
Exact Mass245.18
IUPAC Nameboric acid;methylaminomethanol
SMILESCNCO.CNCO.CNCO.OB(O)O
InChIInChI=1S/3C2H7NO.BH3O3/c3*1-3-2-4;2-1(3)4/h3*3-4H,2H2,1H3;2-4H
InChIKeyTWIAWFLIJOWHFQ-UHFFFAOYSA-N
XLogP-4.59
TPSA157.47 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.08
LogP ≤ 5-4.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of boric acid;methylaminomethanol?
The IUPAC name of boric acid;methylaminomethanol (CID 161004501) is boric acid;methylaminomethanol.
What is the SMILES notation for boric acid;methylaminomethanol?
The canonical SMILES for boric acid;methylaminomethanol is CNCO.CNCO.CNCO.OB(O)O.
What is the InChIKey of boric acid;methylaminomethanol?
The InChIKey is TWIAWFLIJOWHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7NO.BH3O3/c3*1-3-2-4;2-1(3)4/h3*3-4H,2H2,1H3;2-4H.
What are the key properties of boric acid;methylaminomethanol?
boric acid;methylaminomethanol has a molecular weight of 245.08 g/mol, XLogP of -4.59, 3 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;methylaminomethanol is sourced from PubChem (CID 161004501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).