CAS 524955-09-7

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Also known as: 524955-09-7, 3-chloro-4-(2-pyridylmethoxy)aniline, Akos b033273, Benzenamine, 3-chloro-4-(2-pyridinylmethoxy)-, 3-chloro-4-(pyridin-2-ylmethoxy)-phenylamine, 3-chloro-4-(pyridin-2-ylmethoxy)-benzenamine

Molecular Formula

C₁₂H₁₁ClN₂O

Molecular Weight

234.68 g/mol

InChI Key

XCAPJQSICQSUJP-UHFFFAOYSA-N

FDA UNII

67KD7Z8H49

1 2D Structure

CAS 524955-09-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-chloro-4-(pyridin-2-ylmethoxy)aniline

2.1.2 InChI

InChI=1S/C12H11ClN2O/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10/h1-7H,8,14H2

2.1.3 InChI Key

XCAPJQSICQSUJP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=NC(=C1)COC2=C(C=C(C=C2)N)Cl

2.2 Other Identifiers

2.2.1 UNII

67KD7Z8H49

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 524955-09-7

2. 3-chloro-4-(2-pyridylmethoxy)aniline

3. Akos B033273

4. Benzenamine, 3-chloro-4-(2-pyridinylmethoxy)-

5. 3-chloro-4-(pyridin-2-ylmethoxy)-phenylamine

6. 3-chloro-4-(pyridin-2-ylmethoxy)-benzenamine

7. 67kd7z8h49

8. Mfcd08699389

9. 3-chloro-4-(2-pyridinylmethoxy)benzenamine

10. 3-chloro-4-[(pyridin-2-yl)methoxy]aniline

11. 3-chloro-4-(pyridin-2-yl-methoxy)benzenamine

12. 3-chloro-4-((pyridin-2-yl)methyloxy)aniline

13. 3-chloro-4-(pyridin-2 -ylmethoxy) Benzenamine

14. Schembl159323

15. Unii-67kd7z8h49

16. Amy6943

17. Dtxsid80588396

18. Bcp13651

19. Cs-m0297

20. 3-chloro-4-(2pyridylmethoxy)aniline

21. Zinc11919429

22. Akos000137040

23. Ds-4550

24. Sb17676

25. 4-pyridin-2-yl-methoxy-3-chloroaniline

26. 3-chloro-4 (pyridin-2-ylmethoxy)aniline

27. 3-chloro-4-(2-pyridinylmethoxy)-aniline

28. Ac-25491

29. Sy042191

30. 3-chloro-4-(pyridin-2-ylmethoxy) Aniline

31. 3-chloro-4-(2-pyridylmethoxyl)-phenylamine

32. 3-chloro-4-(2-pyridinylmethoxy)-benzenamine

33. 3-chloro-4-(pyridin-2-ylmethoxy)phenylamine

34. En300-58964

35. 3-chloro-4-(pyridin-2-ylmethoxyl)-phenylamine

36. P10635

37. A852053

38. [3-chloro-4-(pyridin-2-yl Methoxy) Phenyl] Amine

39. Z910843274

40. 3-chloro-4-(pyridin-2-ylmethoxy)benzenamine;3-chloro-4-(pyridin-2-ylmethoxy)aniline

2.4 Create Date

2007-11-13

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁ClN₂O
Molecular Weight	234.68 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	234.0559907 g/mol
Monoisotopic Mass	234.0559907 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	215
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