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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Dicel, Fenproporex hcl, 16359-54-9, 18305-29-8, Perphoxene, 3-[(1-methyl-2-phenyl)ethylamino]propiononitrile hydrochloride

Molecular Formula

C₁₂H₁₇ClN₂

Molecular Weight

224.73 g/mol

InChI Key

ZBRZSJUFJUMKIM-UHFFFAOYSA-N

FDA UNII

09PE91J6V6

1 2D Structure

Fenproporex hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(1-phenylpropan-2-ylamino)propanenitrile;hydrochloride

2.1.2 InChI

InChI=1S/C12H16N2.ClH/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12;/h2-4,6-7,11,14H,5,9-10H2,1H3;1H

2.1.3 InChI Key

ZBRZSJUFJUMKIM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC1=CC=CC=C1)NCCC#N.Cl

2.2 Other Identifiers

2.2.1 UNII

09PE91J6V6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Dicel

2. Fenproporex Hcl

3. 16359-54-9

4. 18305-29-8

5. Perphoxene

6. 3-[(1-methyl-2-phenyl)ethylamino]propiononitrile Hydrochloride

7. 09pe91j6v6

8. 3-(1-phenylpropan-2-ylamino)propanenitrile;hydrochloride

9. Appetizugler

10. Fenproporex Chlorhydrate

11. Falagan

12. Fenisec

13. Gacilin

14. Grasmin

15. Solvolip

16. Tegisec

17. 3-((1-methyl-2-phenyl)ethylamino)propiononitrile Hydrochloride

18. Antiobes Retard

19. Einecs 242-191-5

20. N-2-cyano-ethylamphetamine Hydrochloride

21. Unii-09pe91j6v6

22. Feprorex (tn)

23. Einecs 240-420-3

24. N-2-cyanoethylamphetamine Hydrochloride

25. Schembl729270

26. Dtxsid10936846

27. (1)-3-((1-methyl-2-phenylethyl)amino)propiononitrile Hydrochloride

28. Fenproporex Hydrochloride [mi]

29. Akos027383866

30. Propionitrile, 3-((alpha-methylphenethyl)amino)-, Monohydrochloride, (+-)-

31. Propanenitrile, 3-((1-methyl-2-phenylethyl)amino)-, Monohydrochloride, (+-)-

32. Fenproporex Hydrochloride [mart.]

33. Fenproporex Hydrochloride [who-dd]

34. D07948

35. (+/-)-n-2-cyanoethylamphetamine Hydrochloride

36. Q27236495

37. (+/-)-3-(.alpha.-methylphenethylamino)propionitrile Hydrochloride

38. 3-[(1-phenylpropan-2-yl)amino]propanenitrile--hydrogen Chloride (1/1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇ClN₂
Molecular Weight	224.73 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	224.1080262 g/mol
Monoisotopic Mass	224.1080262 g/mol
Topological Polar Surface Area	35.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	186
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