chempirical

Diethylaminoethyl chloride

C6H14ClNCAS 100-35-6135.63 g/mol

Open in Covalent MOL file
NCl
Alkyl halideTertiary amine

Properties

Molecular formula
C6H14ClN
Molar mass
135.63 g/mol
Exact mass
135.0815 Da
Density
0.9166 g/mL (at 22 °C)
Melting point
173–175 °C
Boiling point
51–52 °C (at 16 Torr)
logP
1.57Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

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
100-35-6
SMILES
CCN(CC)CCCl
InChIKey
YMDNODNLFSHHCV-UHFFFAOYSA-N
InChI
InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

23 names · show all
  • Ethanamine, 2-chloro-N,N-diethyl-
  • Triethylamine, 2-chloro-
  • 2-Chloro-N,N-diethylethanamine
  • 2-Chlorotriethylamine
  • 2-(Diethylamino)-1-chloroethane
  • (2-Chloroethyl)diethylamine
  • Diethyl(2-chloroethyl)amine
  • N,N-Diethyl-2-chloroethylamine
  • β-Chlorotriethylamine
  • 1-Chloro-2-(diethylamino)ethane
  • 2-(Diethylamino)chloroethane
  • 2-(Diethylamino)ethyl chloride
  • 2-(N,N-Diethylamino)ethyl chloride
  • β-(Diethylamino)ethyl chloride
  • N-(2-Chloroethyl)diethylamine
  • N-(2-Chloroethyl)-N,N-diethylamine
  • N,N-Diethylaminoethyl chloride
  • 1-Diethylamino-2-chloroethane
  • 2-Chloroethyl-N,N-diethylamine
  • (β-Chloroethyl)diethylamine
  • NSC 123446
  • 1-Chloro-2-(N,N-diethylamino)ethane
  • 2-(N,N-Diethylamino)-1-chloroethane

Work with Diethylaminoethyl chloride

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.

1-Chloro-2-(diethylamine)ethane hydrochloride869-24-9Salt

Similar compounds

3-Chloro-N,N-diethyl-1-propanamine104-77-870 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-659 % similar 1-(2-Chloroethyl)pyrrolidine5050-41-950 % similar 1,4-Diethylpiperazine6483-50-750 % similar 1-(2-Chloroethyl)piperidine1932-03-248 % similar Triethylamine121-44-847 % similar N,N-Diethylethylenediamine100-36-745 % similar Diethylethanolamine100-37-845 % similar

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

Same formula

Allyltrimethylammonium chloride1516-27-4 (S)-3-Methylpiperidine hydrochloride155797-02-7 Cyclohexylamine hydrochloride4998-76-9 Aminomethylcyclopentane hydrochloride58714-85-5 2,2-Dimethylpyrrolidine hydrochloride623580-01-8

Elsewhere

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