tris(ethylamino) borate

C6H18BN3O3 — CID 18763933

IUPACtris(ethylamino) borate
SMILESCCNOB(ONCC)ONCC
InChIInChI=1S/C6H18BN3O3/c1-4-8-11-7(12-9-5-2)13-10-6-3/h8-10H,4-6H2,1-3H3
InChIKeyUZUUJVJULKDTQK-UHFFFAOYSA-N
MW191.04 g/mol
LogP-0.41
Rot. Bonds9

About tris(ethylamino) borate

tris(ethylamino) borate (PubChem CID 18763933) has the molecular formula C6H18BN3O3 and a molecular weight of 191.04 g/mol. Its IUPAC name is tris(ethylamino) borate.

Molecular Properties

Compound Nametris(ethylamino) borate
PubChem CID18763933
Molecular FormulaC6H18BN3O3
Molecular Weight191.04 g/mol
Exact Mass191.14
IUPAC Nametris(ethylamino) borate
SMILESCCNOB(ONCC)ONCC
InChIInChI=1S/C6H18BN3O3/c1-4-8-11-7(12-9-5-2)13-10-6-3/h8-10H,4-6H2,1-3H3
InChIKeyUZUUJVJULKDTQK-UHFFFAOYSA-N
XLogP-0.41
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(ethylamino) borate?
The IUPAC name of tris(ethylamino) borate (CID 18763933) is tris(ethylamino) borate.
What is the SMILES notation for tris(ethylamino) borate?
The canonical SMILES for tris(ethylamino) borate is CCNOB(ONCC)ONCC.
What is the InChIKey of tris(ethylamino) borate?
The InChIKey is UZUUJVJULKDTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18BN3O3/c1-4-8-11-7(12-9-5-2)13-10-6-3/h8-10H,4-6H2,1-3H3.
What are the key properties of tris(ethylamino) borate?
tris(ethylamino) borate has a molecular weight of 191.04 g/mol, XLogP of -0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethylamino) borate is sourced from PubChem (CID 18763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).