1-(2-Chloroethyl)pyrrolidine hydrochloride

C₆H₁₃Cl₂NCAS 7050-67-1170.08 g/mol

Open in Covalent MOL file

Alkyl halide Tertiary amine

Properties

Molecular formula: C₆H₁₃Cl₂N
Molar mass: 170.08 g/mol
Exact mass: 169.0425 Da
logP: 1.74Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

7050-67-1

SMILES

C1CCN(C1)CCCl.Cl

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.

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

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-(2-Chloroethyl)pyrrolidine5050-41-9Free base 1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-1

Similar compounds

1-(2-Chloroethyl)piperidine hydrochloride2008-75-594 % similar N-(2-Chloroethyl)perhydroazepine hydrochloride26487-67-294 % similar 1-(3-Chloropropyl)-pyrrolidine hydrochloride57616-69-079 % 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

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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