CAS 953789-37-2

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Chemistry

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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