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Also known as: 166943-39-1, N-methyl-2-(4-nitrophenyl)ethanamine hydrochloride, N-methyl-2-(4-nitrophenyl)ethylamine hydrochloride, N-methyl-4-nitrophenethylamine, hcl, N-methyl-4-nitrophenethylamine hcl, N-methyl-[2-(4-nitro-phenyl)-ethyl]-amine hydrochloride
Molecular Formula
C9H13ClN2O2
Molecular Weight
216.66  g/mol
InChI Key
VGJDSNZOPPZCTB-UHFFFAOYSA-N

CAS 166943-39-1
1 2D Structure

CAS 166943-39-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-methyl-2-(4-nitrophenyl)ethanamine;hydrochloride
2.1.2 InChI
InChI=1S/C9H12N2O2.ClH/c1-10-7-6-8-2-4-9(5-3-8)11(12)13;/h2-5,10H,6-7H2,1H3;1H
2.1.3 InChI Key
VGJDSNZOPPZCTB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNCCC1=CC=C(C=C1)[N+](=O)[O-].Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 166943-39-1

2. N-methyl-2-(4-nitrophenyl)ethanamine Hydrochloride

3. N-methyl-2-(4-nitrophenyl)ethylamine Hydrochloride

4. N-methyl-4-nitrophenethylamine, Hcl

5. N-methyl-4-nitrophenethylamine Hcl

6. N-methyl-[2-(4-nitro-phenyl)-ethyl]-amine Hydrochloride

7. N-methyl-2-(4-nitrophenyl)ethanamine;hydrochloride

8. Methyl[2-(4-nitrophenyl)ethyl]amine Hydrochloride

9. Mfcd00674535

10. Indomethacinfarnesil

11. Methyl-[2-(4-nitro-phenyl)-ethyl]-amine Hydrochloride

12. Schembl3922824

13. Benzeneethanamine, N-methyl-4-nitro-, Monohydrochloride

14. Dtxsid40584899

15. Act11761

16. Bcp29811

17. Str04958

18. Akos015888237

19. Cs-w013164

20. N-methyl-4-nitrophenethylaminehydrochloride

21. Db-043670

22. Ft-0643600

23. A810797

24. N-methyl2-(4-nitrophenyl)ethylamine Hydrochloride

25. J-010320

26. Benzeneethanamine, N-methyl-4-nitro-, Hydrochloride (1:1)

27. N-methyl-4-nitrophenethylamine Hydrochloride, >=99.0% (hplc)

28. N-methyl-2-(4-nitrophenyl)ethan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 216.66 g/mol
Molecular Formula C9H13ClN2O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass216.0665554 g/mol
Monoisotopic Mass216.0665554 g/mol
Topological Polar Surface Area57.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity160
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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