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2D Structure
Also known as: 20191-74-6, 2-ethyl-5-nitrobenzenamine, 2-ethyl-5-nitrobenzenamine ,98%, Mfcd00034056, En300-108913, Benzenamine, 2-ethyl-5-nitro-
Molecular Formula
C8H10N2O2
Molecular Weight
166.18  g/mol
InChI Key
MMZWMCKTKJKIMC-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethyl-5-nitroaniline
2.1.2 InChI
InChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3
2.1.3 InChI Key
MMZWMCKTKJKIMC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C(C=C(C=C1)[N+](=O)[O-])N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 20191-74-6

2. 2-ethyl-5-nitrobenzenamine

3. 2-ethyl-5-nitrobenzenamine ,98%

4. Mfcd00034056

5. En300-108913

6. Benzenamine, 2-ethyl-5-nitro-

7. 2-ethyl-5-nitro-benzenamine

8. 2-ethyl-5-nitro-phenylamine

9. Schembl588348

10. 4-nitro-2-amino-1-ethylbenzene

11. Dtxsid00400021

12. Mmzwmcktkjkimc-uhfffaoysa-n

13. Bdbm625975

14. Amy21006

15. Bcp18607

16. Akos015890562

17. Ds-5221

18. Ac-27055

19. Sy017465

20. A4400

21. Cs-0012535

22. E1085

23. Ft-0687652

24. J-509323

25. 64694-19-5

2.3 Create Date
2005-09-13
3 Chemical and Physical Properties
Molecular Weight 166.18 g/mol
Molecular Formula C8H10N2O2
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area71.8
Heavy Atom Count12
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1