1497-49-0

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1 Suppliers, 1 End Use APIs, 3 Related Intermediates

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1 End Use APIs
3 Related Intermediates

Chemistry

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Also known as: 1497-49-0, N-((2e,4e)-5-(phenylamino)penta-2,4-dien-1-ylidene)aniline hydrochloride, Glutaconic aldehyde dianilide hydrochloride, 13959-24-5, Glutaconaldehydedianil hydrochloride, N-[5-(phenylamino)-2,4-pentadienylidene]aniline monohydrochloride

Molecular Formula

C₁₇H₁₇ClN₂

Molecular Weight

284.8 g/mol

InChI Key

VUCMMJBDNXZQDJ-ZUJIUJENSA-N

FDA UNII

6L65XPG9ER

1 2D Structure

1497-49-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride

2.1.2 InChI

InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15?;

2.1.3 InChI Key

VUCMMJBDNXZQDJ-ZUJIUJENSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)NC=CC=CC=NC2=CC=CC=C2.Cl

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)N/C=C/C=C/C=NC2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

6L65XPG9ER

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1497-49-0

2. N-((2e,4e)-5-(phenylamino)penta-2,4-dien-1-ylidene)aniline Hydrochloride

3. Glutaconic Aldehyde Dianilide Hydrochloride

4. 13959-24-5

5. Glutaconaldehydedianil Hydrochloride

6. N-[5-(phenylamino)-2,4-pentadienylidene]aniline Monohydrochloride

7. Glutaconaldehyde Dianilide Hydrochloride

8. Mfcd00012630

9. N-[(1e,3e)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride

10. Glutaconaldehyde Dianil Chloride

11. Pentadienedianiline Hydrochloride

12. Glutacondianil Hcl

13. Benzenamine, N-(5-(phenylamino)-2,4-pentadien-1-ylidene)-, Hydrochloride (1:1)

14. Benzenamine, N-[5-(phenylamino)-2,4-pentadien-1-ylidene]-, Hydrochloride (1:1)

15. Benzenamine,n-[[(1e,2e,3e)-4-(phenylamino)-1,3-butadienyl]methylene]-,monohydrochloride

16. 6l65xpg9er

17. N-(5-anilino-2,4-pentadienylidene)aniline Hydrochloride

18. Dtxsid7044398

19. Nsc-243484

20. Glutaconaldehydedianil Hcl

21. Schembl42417

22. C17h17cln2

23. Schembl316433

24. N-[5-(phenylimino)-1,3-pentadien-1-yl]aniline Hydrochloride (1:1)

25. Schembl8746218

26. Chembl3184816

27. Dtxcid00196538

28. Tox21_302102

29. Glutaconalde-hyde Dianil Hydrochloride

30. Akos015892562

31. Ncgc00255792-01

32. Ac-19528

33. Ds-11295

34. Cas-1497-49-0

35. G0201

36. D70519

37. Glutaconic Aldehyde Dianil Hydrochloride

38. A808953

39. W-108083

40. F0348-4889

41. N,n'-penta-1,3-dien-1-yl-5-ylidenedianiline Hydrochloride

42. N-[5-(phenylamino)-2,4-pentadienylidene]aniline Monohydrochloride, 98%

43. (e)-n,n'-((1e,3e)-penta-1,3-diene-1-yl-5-ylidene)dianiline Hydrochloride

44. (e)-n-((2e,4e)-5-(phenylamino)penta-2,4-dien-1-ylidene)aniline Hydrochloride

45. (e)-n-((2e,4e)-5-(phenylamino)penta-2,4-dien-1-ylidene)anilinehydrochloride

46. Benzenamine, N-((2e,4e)-5-(phenylamino)-2,4-pentadien-1-ylidene)-, Hydrochloride (1:1)

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₇ClN₂
Molecular Weight	284.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	24.4
Heavy Atom Count	20
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2