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56824-22-7

Basic Information
CAS No.: 56824-22-7
Name: 2-(2-Chloroethyl)-N-methyl-pyrrolidine hydrochloride
Article Data: 5
Molecular Structure:
Molecular Structure of 56824-22-7 (2-(2-Chloroethyl)-N-methyl-pyrrolidine hydrochloride)
Formula: C7H14ClN.HCl
Molecular Weight: 184.109
Synonyms: Pyrrolidine,2-(2-chloroethyl)-1-methyl-, hydrochloride (9CI);1-Methyl-2-(2-chloroethyl)pyrrolidinehydrochloride;2-(2-Chloroethyl)-1-methylpyrrolidine hydrochloride;2-(2-Chloroethyl)-N-methylpyrrolidine hydrochloride;2-(N-Methyl-2-pyrrolidinyl)ethyl chloride hydrochloride;N-Methyl-2-(2-chloroethyl)pyrrolidine hydrochloride;
EINECS: 260-395-2
Melting Point: 98-102 °C
Boiling Point: 181.5 °C at 760 mmHg
Flash Point: 63.6 °C
Appearance: light liquids
Safety: 22-24/25
PSA: 3.24000
LogP: 2.44940
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Specification

The 2-(2-Chloroethyl)-1-methylpyrrolidine hydrochloride, with the CAS registry number 56824-22-7, is also known as AC1MI42G. It belongs to the product categories of Pyrrolidines Heterocyclic Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrrolidines. Its EINECS registry number is 260-395-2. This chemical's molecular formula is C7H14ClN.HCl and molecular weight is 184.11. Its IUPAC name is called 2-(2-chloroethyl)-1-methylpyrrolidine hydrochloride. The product should be sealed and stored in cool and dry place. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes. It is used as pharmaceutical intermediates.
 

Physical properties of 2-(2-Chloroethyl)-1-methylpyrrolidine hydrochloride: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 2; (4)Exact Mass: 183.058155; (5)MonoIsotopic Mass: 183.058155; (6)Topological Polar Surface Area: 3.2; (7)Heavy Atom Count: 10; (8)Formal Charge: 0; (9)Complexity: 85; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 1; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

Uses of 2-(2-Chloroethyl)-1-methylpyrrolidine hydrochloride: it can be used to produce 1-methyl-2-(2-phosphanyl-ethyl)-pyrrolidine at temperature of 20 °C. This reaction will need reagent PH3, KOH and solvent dimethylsulfoxide with reaction time of 1 hour. The yield is about 78%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCCC1CCCl.Cl
(2)InChI: InChI=1S/C7H14ClN.ClH/c1-9-6-2-3-7(9)4-5-8;/h7H,2-6H2,1H3;1H
(3)InChIKey: KCQMALZNENFGKK-UHFFFAOYSA-N