chempirical

2-(2-Chloroethyl)-N-methylpyrrolidine hydrochloride

C7H15Cl2NCAS 56824-22-7184.10 g/mol

Open in Covalent MOL file
NClHCl
Alkyl halideTertiary amine

Properties

Molecular formula
C7H15Cl2N
Molar mass
184.10 g/mol
Exact mass
183.0582 Da
logP
2.13Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
56824-22-7
SMILES
CN1CCCC1CCCl.Cl
InChIKey
KCQMALZNENFGKK-UHFFFAOYSA-N
InChI
InChI=1S/C7H14ClN.ClH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H

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

Names and synonyms

6 names
  • Pyrrolidine, 2-(2-chloroethyl)-1-methyl-, hydrochloride (1:1)
  • Pyrrolidine, 2-(2-chloroethyl)-1-methyl-, hydrochloride
  • 2-(N-Methyl-2-pyrrolidinyl)ethyl chloride hydrochloride
  • N-Methyl-2-(2-chloroethyl)pyrrolidine hydrochloride
  • 2-(2-Chloroethyl)-1-methylpyrrolidine hydrochloride
  • 1-Methyl-2-(2-chloroethyl)pyrrolidine hydrochloride

Work with 2-(2-Chloroethyl)-N-methylpyrrolidine 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

2-(2-Chloroethyl)-1-methylpiperidine hydrochloride58878-37-889 % similar 2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-752 % similar 1-Methyl-2-pyrrolidineethanol67004-64-252 % similar (2S)-1-Methyl-2-pyrrolidinemethanol34381-71-048 % similar 1-Methyl-2-pyrrolidinemethanol3554-65-248 % similar 1-Methyl-2-piperidinemethanol20845-34-542 % similar 3-Dimethylaminopropyl chloride hydrochloride1281-00-142 % similar Dimethylaminoethyl chloride hydrochloride4584-46-740 % similar

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

Same formula

1-(2-Chloroethyl)piperidine hydrochloride2008-75-5

Elsewhere

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