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Also known as: 29968-78-3, 4-nitrophenylethylamine hydrochloride, 4-nitrophenethylamine hcl, 2-(4-nitrophenyl)ethanamine hydrochloride, 2-(4-nitrophenyl)ethylamine hydrochloride, 4-nitrophenethylamine, hcl
Molecular Formula
C8H11ClN2O2
Molecular Weight
202.64  g/mol
InChI Key
JVMHULJEYUQYSH-UHFFFAOYSA-N

CAS 29968-78-3
1 2D Structure

CAS 29968-78-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-nitrophenyl)ethanamine;hydrochloride
2.1.2 InChI
InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H
2.1.3 InChI Key
JVMHULJEYUQYSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CCN)[N+](=O)[O-].Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 29968-78-3

2. 4-nitrophenylethylamine Hydrochloride

3. 4-nitrophenethylamine Hcl

4. 2-(4-nitrophenyl)ethanamine Hydrochloride

5. 2-(4-nitrophenyl)ethylamine Hydrochloride

6. 4-nitrophenethylamine, Hcl

7. 4-nitro-phenethylamine Hydrochloride

8. Benzeneethanamine, 4-nitro-, Monohydrochloride

9. 2-(4-nitrophenyl)ethanamine;hydrochloride

10. Mfcd00012900

11. 2-(4-nitrophenyl)ethylazanium Chloride

12. Mfcd03095044

13. P-nitrophenethylamine, Hydrochloride

14. 4-nitrophcnethylamine

15. 2-(4-nitrophenyl)ethan-1-amine Hydrochloride

16. Schembl115247

17. P-nitrophenethylamine Hydrochloride

18. P-nitrophenylethylamine Hcl

19. 4-nitrophenylethylaminehydrochloride

20. Act04225

21. Bcp10667

22. P-nitrophenylethylamine Hydrochloride

23. 4--nitrophenethylamine Hydrochloride

24. 4-nitrophenylethylamine?hydrochloride

25. Akos005259928

26. Sb36461

27. 4-nitrophenylethylamine Monohydrochloride

28. 4-nitrophenethylamine Hydrochloride, 95%

29. Ac-22485

30. As-14588

31. Sy021998

32. 2-(4-nitrophenyl)-ethylamine Hydrochloride

33. Db-001301

34. 2-(4-nitro-phenyl)-ethylamine Hydrochloride

35. Am20060602

36. Cs-0011439

37. Ft-0638895

38. N0648

39. 4-nitrophenethylamine Hydrochloride, Aldrichcpr

40. 2-(4-nitro-phenyl)-ethylamine Hydrochloride Salt

41. 968n783

42. Q-200504

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 202.64 g/mol
Molecular Formula C8H11ClN2O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass202.0509053 g/mol
Monoisotopic Mass202.0509053 g/mol
Topological Polar Surface Area71.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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