CAS 214759-21-4

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Also known as: 214759-21-4, 2,4,6-trifluorobenzylamine, 2,4,6-trifluorobenzyl amine, Benzenemethanamine, 2,4,6-trifluoro-, Mfcd00236317, 1-(2,4,6-trifluorophenyl)methylamine

Molecular Formula

C₇H₆F₃N

Molecular Weight

161.12 g/mol

InChI Key

RCHOKTKXVKKNBC-UHFFFAOYSA-N

1 2D Structure

CAS 214759-21-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2,4,6-trifluorophenyl)methanamine

2.1.2 InChI

InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2

2.1.3 InChI Key

RCHOKTKXVKKNBC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 214759-21-4

2. 2,4,6-trifluorobenzylamine

3. 2,4,6-trifluorobenzyl Amine

4. Benzenemethanamine, 2,4,6-trifluoro-

5. Mfcd00236317

6. 1-(2,4,6-trifluorophenyl)methylamine

7. Trifluorophenyl)methanamine

8. Schembl857045

9. 2,4,6-trifluorobenzyl Amine,

10. Dtxsid90380348

11. 2,4,6-trifluorobenzenemethanamine

12. Act00447

13. Amy12366

14. Bcp26105

15. Zinc2560211

16. Ck2435

17. Akos009157965

18. Sb76323

19. 2,4,6-trifluorobenzyl Amine, Aldrichcpr

20. Ac-30683

21. As-18208

22. Sy101453

23. Db-005847

24. Cs-0034440

25. Ft-0650849

26. 2,4,6-trif(2,4,6-trifluorophenyl)methanamine

27. A815404

28. N,n,n-tri-p-tosyldiethylenetriamine,disodiumsalt

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₆F₃N
Molecular Weight	161.12 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	161.04523368 g/mol
Monoisotopic Mass	161.04523368 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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