CAS 20191-74-6

1 2D Structure

CAS 20191-74-6

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 Formula	C₈H₁₀N₂O₂
Molecular Weight	166.18 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	71.8
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 20191-74-6

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