CAS 72235-52-0

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Also known as: 72235-52-0, (2,4-difluorophenyl)methanamine, 2,4-difluorobenzyl amine, Benzenemethanamine, 2,4-difluoro-, 1-(2,4-difluorophenyl)methanamine, 8b7tqj9cfs

Molecular Formula

C₇H₇F₂N

Molecular Weight

143.13 g/mol

InChI Key

QDZZDVQGBKTLHV-UHFFFAOYSA-N

FDA UNII

8B7TQJ9CFS

1 2D Structure

CAS 72235-52-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2,4-difluorophenyl)methanamine

2.1.2 InChI

InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

2.1.3 InChI Key

QDZZDVQGBKTLHV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)F)CN

2.2 Other Identifiers

2.2.1 UNII

8B7TQJ9CFS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 72235-52-0

2. (2,4-difluorophenyl)methanamine

3. 2,4-difluorobenzyl Amine

4. Benzenemethanamine, 2,4-difluoro-

5. 1-(2,4-difluorophenyl)methanamine

6. 8b7tqj9cfs

7. Einecs 276-502-0

8. N-difluorobenzylamine

9. 2,4-difluorbenzylamine

10. 2.4-difluorobenzylamine

11. Unii-8b7tqj9cfs

12. 2,4-difluoro Benzylamine

13. 2,4-difluoro-benzylamine

14. Schembl113852

15. 2,4-difluorobenzenemethanamine

16. 2,4-difluorobenzylamine, 98%

17. Dtxsid40222547

18. Zinc409200

19. Act12981

20. Albb-006002

21. Bcp12876

22. Mfcd00010142

23. Stk503663

24. Akos000134081

25. Ac-9768

26. Am62087

27. Cs-w018261

28. Ps-8995

29. Wt81977

30. Db-019936

31. D1996

32. Ft-0610096

33. Ft-0658722

34. En300-35048

35. A22194

36. W-104494

37. F2190-0536

38. Z1262252941

39. 2,4-difluoro-benzylamine;(2,4-difluorophenyl)methanamine

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₇F₂N
Molecular Weight	143.13 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.05465555 g/mol
Monoisotopic Mass	143.05465555 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108
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