chempirical

1-(2-Chloroethyl)pyrrolidine hydrochloride

C6H13Cl2NCAS 7250-67-1170.08 g/mol

Open in Covalent MOL file
HClClN
Alkyl halideTertiary amine

Properties

Molecular formula
C6H13Cl2N
Molar mass
170.08 g/mol
Exact mass
169.0425 Da
Melting point
173.5–174 °C
logP
1.74Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
7250-67-1
SMILES
Cl.ClCCN1CCCC1
InChIKey
FSNGFFWICFYWQC-UHFFFAOYSA-N
InChI
InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H

Weigh it out

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

Names and synonyms

14 names · show all
  • Pyrrolidine, 1-(2-chloroethyl)-, hydrochloride (1:1)
  • Pyrrolidine, 1-(2-chloroethyl)-, hydrochloride
  • N-(β-Chloroethyl)pyrrolidine hydrochloride
  • 2-Pyrrolidinyl-1-chloroethane hydrochloride
  • Pyrrolidinoethyl chloride hydrochloride
  • 2-Pyrrolidinoethyl chloride hydrochloride
  • 1-(2-Chloroethyl)pyrrolidine monohydrochloride
  • β-Pyrrolidinoethyl chloride hydrochloride
  • N-(2-Chloroethyl)pyrrolidinium chloride
  • N-(2-Chloroethyl)pyrrolidine hydrochloride
  • 2-(1-Pyrrolidinyl)ethyl chloride hydrochloride
  • 2-(1-Pyrrolidino)ethyl chloride hydrochloride
  • 1-(2-Chloroethyl)pyrrolidinium chloride
  • 1-(2-Chloroethyl)pyrrolidin-1-ium chloride

Work with 1-(2-Chloroethyl)pyrrolidine 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

1-(2-Chloroethyl)piperidine hydrochloride2008-75-594 % similar β-(Hexahydro-1H-azepin-1-yl)ethyl chloride hydrochloride26487-67-294 % similar 1-(2-Chloroethyl)piperidine1932-03-278 % similar 4-(2-Chloroethyl)morpholine hydrochloride3647-69-661 % similar 2-(Diethylamino)ethyl chloride hydrochloride869-24-957 % similar 4-(3-Chloropropyl)morpholine hydrochloride57616-74-756 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-454 % similar 4-(2-Chloroethyl)morpholine3240-94-648 % similar

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

Same formula

N-Methyl-4-chloropiperidine hydrochloride5382-23-0

Elsewhere

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