CAS 953789-37-2

Chemistry, 2 End Use API, 1 Related Intermediates

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Also known as: 953789-37-2, 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane hydrochloride, 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride, 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane, 4-chloro-n-(2-chloropropyl)benzeneethanamine hydrochloride, 2-chloro-n-(4-chlorophenethyl)-propan-1-amine hydrochloride

Molecular Formula

C₁₁H₁₆Cl₃N

Molecular Weight

268.6 g/mol

InChI Key

ARSNVFGYXNWTPK-UHFFFAOYSA-N

1 2D Structure

CAS 953789-37-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-N-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C11H15Cl2N.ClH/c1-9(12)8-14-7-6-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H

2.1.3 InChI Key

ARSNVFGYXNWTPK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CNCCC1=CC=C(C=C1)Cl)Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 953789-37-2

2. 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane Hydrochloride

3. 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine;hydrochloride

4. 1-[[2-(4-chlorophenyl)ethyl]amino]-2-chloropropane

5. 4-chloro-n-(2-chloropropyl)benzeneethanamine Hydrochloride

6. 2-chloro-n-(4-chlorophenethyl)-propan-1-amine Hydrochloride

7. Lorcaserin Impurity B

8. Schembl174859

9. Dtxsid30657920

10. [2-(chloro-phenyl)-ethyl]-(2-chloro-propyl)-ammonium Chloride

11. Amy40342

12. Bcp13020

13. Cs-m1648

14. Benzeneethanamine,4-chloro-n-(2-chloropropyl)-, Hydrochloride (1:1)

15. Akos016000246

16. Ac-28980

17. Cs-13191

18. Db-116034

19. N-(4-chlorophenethyl)-2-chloropropan-1-amine

20. 789c372

21. A855153

22. 1-((2-(4-chlorophenyl)ethyl)amino)-2-chloropropane Hcl

23. 2-chloro-n-(4-chlorophenethyl)propan-1-amine Hcl

24. Benzeneethanamine,4-chloro-n-(2-chloropropyl)-,hydrochloride

25. 2-chloro-n-[2-(4-chlorophenyl)ethyl]propan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date

2009-10-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆Cl₃N
Molecular Weight	268.6 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	267.034833 g/mol
Monoisotopic Mass	267.034833 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

CAS-1431697-94-7

End Use API

Lorcaserin HCl

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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