chempirical

(β-Chloroethyl)diisopropylamine hydrochloride

C8H19Cl2NCAS 4261-68-1200.15 g/mol

Open in Covalent MOL file
NClHCl
Alkyl halideTertiary amine

Properties

Molecular formula
C8H19Cl2N
Molar mass
200.15 g/mol
Exact mass
199.0895 Da
Melting point
110 °C
logP
2.77Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
4261-68-1
SMILES
CC(C)N(CCCl)C(C)C.Cl
InChIKey
IUSXYVRFJVAVOB-UHFFFAOYSA-N
InChI
InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H

Weigh it out

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

Names and synonyms

12 names
  • 2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride (1:1)
  • Triethylamine, 2′′-chloro-1,1′-dimethyl-, hydrochloride
  • 2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride
  • 2-(Diisopropylamino)ethyl chloride hydrochloride
  • N-(2-Chloroethyl)diisopropylamine hydrochloride
  • 2-Chloroethyldiisopropylamine hydrochloride
  • 2-Chloro-N,N-bis(isopropyl)ethanamine hydrochloride
  • 2-(N,N-Diisopropylamino)ethyl chloride hydrochloride
  • N-(2-Chloroethyl)-N-isopropylpropan-2-amine hydrochloride
  • 2-Chloro-N,N-diisopropylethylamine hydrochloride
  • N,N-Diisopropyl-2-Chloroethylamine hydrochloride
  • 1-Chloro-2-diisopropylaminoethane hydrochloride

Work with (β-Chloroethyl)diisopropylamine hydrochloride

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

Similar compounds

Dimethylaminoethyl chloride hydrochloride4584-46-748 % similar Nitrogen mustard55-86-748 % similar 2-(Diethylamino)ethyl chloride hydrochloride869-24-944 % similar N,N-Diisopropylethylenediamine121-05-142 % similar 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-142 % similar N,N-Diisopropylaminoethanol96-80-042 % similar 1-(2-Chloroethyl)piperidine hydrochloride2008-75-541 % similar β-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride26487-67-241 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook