CAS 68817-71-0

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Also known as: 68817-71-0, N1-(4-chlorophenyl)benzene-1,2-diamine, N-(4-chlorophenyl)benzene-1,2-diamine, 2-n-(4-chlorophenyl)benzene-1,2-diamine, 1,2-benzenediamine, n-(4-chlorophenyl)-, (2-aminophenyl)(4-chlorophenyl)amine

Molecular Formula

C₁₂H₁₁ClN₂

Molecular Weight

218.68 g/mol

InChI Key

WEUBIWJPIRTWDF-UHFFFAOYSA-N

FDA UNII

P7C6565WVL

1 2D Structure

CAS 68817-71-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-N-(4-chlorophenyl)benzene-1,2-diamine

2.1.2 InChI

InChI=1S/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2

2.1.3 InChI Key

WEUBIWJPIRTWDF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

P7C6565WVL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 68817-71-0

2. N1-(4-chlorophenyl)benzene-1,2-diamine

3. N-(4-chlorophenyl)benzene-1,2-diamine

4. 2-n-(4-chlorophenyl)benzene-1,2-diamine

5. 1,2-benzenediamine, N-(4-chlorophenyl)-

6. (2-aminophenyl)(4-chlorophenyl)amine

7. P7c6565wvl

8. Mfcd00007686

9. N2-(4-chlorophenyl)benzene-1,2-diamine

10. Einecs 272-391-8

11. 2-(4-chloroanilino)aniline

12. 1,2-benzenediamine, N1-(4-chlorophenyl)-

13. Unii-p7c6565wvl

14. 2-(4-chloroanilino)-aniline

15. Schembl255243

16. 2-amino-4'-chlorodiphenylamine

17. Chembl3637787

18. Dtxsid30218919

19. Zinc389512

20. Akos009281601

21. Ds-4691

22. Sb79424

23. N-(4-chlorophenyl)-1,2-benzenediamine

24. N-(4-chlorophenyl) Benzene-1,2-diamine

25. N-(4-chlorophenyl)-benzene-1,2-diamine

26. Sy251740

27. Db-055194

28. C3171

29. Cs-0156627

30. Ft-0641209

31. D70326

32. N-(4-chlorophenyl)-1,2-phenylenediamine, 97%

33. N1-(4-chlorophenyl)-1,2-benzenediamine

34. A836256

35. 3-chloro-4-trifluoromethyl-biphenyl-2-carboxylicacid

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁ClN₂
Molecular Weight	218.68 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	218.0610761 g/mol
Monoisotopic Mass	218.0610761 g/mol
Topological Polar Surface Area	38 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	190
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