chempirical

N,N-Diethylethanamine trihydrofluoride

C6H18F3NCAS 73602-61-6161.21 g/mol

Open in Covalent MOL file
NHFHFHF
Tertiary amine

Properties

Molecular formula
C6H18F3N
Molar mass
161.21 g/mol
Exact mass
161.1391 Da
Density
1.007 g/mL (at 20 °C)
Melting point
−27 °C
logP
1.81Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
73602-61-6
SMILES
CCN(CC)CC.F.F.F
InChIKey
IKGLACJFEHSFNN-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Triethylamine trihydrofluoride
  • Ethanamine, N,N-diethyl-, hydrofluoride (1:3)
  • Ethanamine, N,N-diethyl-, trihydrofluoride
  • Triethylamine tris(hydrogen fluoride)
  • Triethylamine tri(hydrogen fluoride)
  • Fluoride (H2F31-), hydrogen, compd. with N,N-diethylethanamine (1:1:1)

Work with N,N-Diethylethanamine trihydrofluoride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triethylamine121-44-8Free base Triethylamine monohydrochloride554-68-7Salt Triethylammonium bromide636-70-4Salt

Similar compounds

N,N,N′,N′-Tetraethylethylenediamine150-77-653 % similar 1,4-Diethylpiperazine6483-50-753 % similar 1-Ethylpyrrolidine7335-06-047 % similar Diisopropylethylamine trihydrofluoride131600-43-645 % similar N-Ethylpiperidine766-09-644 % similar Diethylaminoethyl chloride100-35-640 % similar N,N-Diethylethylenediamine100-36-740 % similar Diethylethanolamine100-37-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook