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2D Structure
Also known as: 26961-27-3, 6-aminoveratronitrile, 2-cyano-4,5-dimethoxyaniline, Benzonitrile, 2-amino-4,5-dimethoxy-, Mfcd00058682, 4-amino-5-cyanoveratrole
Molecular Formula
C9H10N2O2
Molecular Weight
178.19  g/mol
InChI Key
BJAYMNUBIULRMF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-4,5-dimethoxybenzonitrile
2.1.2 InChI
InChI=1S/C9H10N2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,11H2,1-2H3
2.1.3 InChI Key
BJAYMNUBIULRMF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C(=C1)C#N)N)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 26961-27-3

2. 6-aminoveratronitrile

3. 2-cyano-4,5-dimethoxyaniline

4. Benzonitrile, 2-amino-4,5-dimethoxy-

5. Mfcd00058682

6. 4-amino-5-cyanoveratrole

7. 2-amino-4,5-dimethoxy-benzonitrile

8. Chemdiv3_011209

9. Schembl82833

10. Dtxsid80352892

11. Bjaymnubiulrmf-uhfffaoysa-n

12. 3,4-dimethoxy-6-aminobenzonitrile

13. 4,5-dimethoxy-2-aminobenzonitrile

14. Hms1504n11

15. Stk776272

16. Akos001848887

17. Ac-4017

18. Am61875

19. Cs-w017332

20. Mb00492

21. Ps-6197

22. Idi1_028767

23. Sy017622

24. Db-047069

25. A20898

26. Aq-358/42003062

27. J-016632

28. Brd-k14422341-001-01-1

29. Inchi=1/c9h10n2o2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4h,11h2,1-2h

2.3 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 178.19 g/mol
Molecular Formula C9H10N2O2
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area68.3
Heavy Atom Count13
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1