Triethylammonium borohydride

C6H16BN — CID 6365648

IUPAC—
SMILESCC[NH+](CC)CC.[B-]
InChIInChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;/q;-1/p+1
InChIKeyUZJAGABQYXJREF-UHFFFAOYSA-O
MW113.01 g/mol
LogP-0.45
Rot. Bonds3

About Triethylammonium borohydride

Triethylammonium borohydride (PubChem CID 6365648) has the molecular formula C6H16BN and a molecular weight of 113.01 g/mol.

Molecular Properties

Compound NameTriethylammonium borohydride
PubChem CID6365648
Molecular FormulaC6H16BN
Molecular Weight113.01 g/mol
Exact Mass113.14
IUPAC Name—
SMILESCC[NH+](CC)CC.[B-]
InChIInChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;/q;-1/p+1
InChIKeyUZJAGABQYXJREF-UHFFFAOYSA-O
XLogP-0.45
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.01
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium triethylazanium
CID 58758998
methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)
CID 139142753
dioxido(oxo)titanium;bis(triethylazanium)
CID 88846724
phosphenous acid;triethylazanium;hydrate
CID 131728704
triethylazanium;2,2,2-trifluoroethanolate
CID 87553441
1-aminoethanesulfonate;triethylazanium
CID 141340656
triethylazanium;1,2,5-trimethylpyrrole
CID 90891861
hydrogen carbonate;bis(triethylazanium);formate
CID 159663993
(diethylazaniumyl)methyl-trifluoroboranuide
CID 53243643
tetraphenylboranuide;triethylazanium
CID 11080326
diethyl(2-hydroxypropyl)azanium
CID 23278727
diethyl-[(2R)-2-hydroxypropyl]azanium
CID 6951308

Frequently Asked Questions

What is the IUPAC name of Triethylammonium borohydride?
The IUPAC name of Triethylammonium borohydride (CID 6365648) is not available.
What is the SMILES notation for Triethylammonium borohydride?
The canonical SMILES for Triethylammonium borohydride is CC[NH+](CC)CC.[B-].
What is the InChIKey of Triethylammonium borohydride?
The InChIKey is UZJAGABQYXJREF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.B/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;/q;-1/p+1.
What are the key properties of Triethylammonium borohydride?
Triethylammonium borohydride has a molecular weight of 113.01 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Triethylammonium borohydride is sourced from PubChem (CID 6365648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).