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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 621-90-9, N-methyl-4-aminoazobenzene, P-monomethylaminoazobenzene, 4-monomethylaminoazobenzene, N-methyl-p-aminoazobenzene, N-methyl-4-(phenyldiazenyl)aniline

Molecular Formula

C₁₃H₁₃N₃

Molecular Weight

211.26 g/mol

InChI Key

DKOXITJAUZNAPK-UHFFFAOYSA-N

FDA UNII

44N974BFDI

1 2D Structure

P-N-Methylaminoazobenzene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methyl-4-phenyldiazenylaniline

2.1.2 InChI

InChI=1S/C13H13N3/c1-14-11-7-9-13(10-8-11)16-15-12-5-3-2-4-6-12/h2-10,14H,1H3

2.1.3 InChI Key

DKOXITJAUZNAPK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC1=CC=C(C=C1)N=NC2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

44N974BFDI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-methyl-4-aminoazobenzene

2.3.2 Depositor-Supplied Synonyms

1. 621-90-9

2. N-methyl-4-aminoazobenzene

3. P-monomethylaminoazobenzene

4. 4-monomethylaminoazobenzene

5. N-methyl-p-aminoazobenzene

6. N-methyl-4-(phenyldiazenyl)aniline

7. N-methyl-4-phenyldiazenylaniline

8. N-methyl-p-(phenylazo)aniline

9. P-n-methylaminoazobenzene

10. Benzenamine, N-methyl-4-(phenylazo)-

11. Aniline, N-methyl-p-(phenylazo)-

12. 44n974bfdi

13. Mab

14. Ccris 382

15. N-methyl-4-(phenylazo)benzenamine

16. 4-methylaminoazobenzene

17. Unii-44n974bfdi

18. P-(phenylazo)-n-methylaniline

19. Schembl5982612

20. (e)-4-(methylamino)azobenzene

21. Dtxsid201023342

22. Mfcd00059198

23. Monomethylaminoazobenzene, 4-

24. Zinc21299786

25. N-methyl-4-[phenyldiazenyl]aniline #

26. Zinc100020723

27. Zinc242463772

28. (e)-n-methyl-4-(phenyldiazenyl)aniline

29. N-methyl-4-(2-phenyldiazen-1-yl)aniline

30. N-methyl-n-[4-(phenyldiazenyl)phenyl]amine

31. Ft-0704252

32. M0143

33. D91285

34. Ae-562/43459099

35. Q27889325

36. 42472-83-3

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃N₃
Molecular Weight	211.26 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	211.110947427 g/mol
Monoisotopic Mass	211.110947427 g/mol
Topological Polar Surface Area	36.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	213
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