CAS 10420-89-0

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Also known as: 10420-89-0, (s)-1-(naphthalen-1-yl)ethanamine, (1s)-1-(naphthalen-1-yl)ethan-1-amine, (1s)-1-naphthalen-1-ylethanamine, (1s)-1-(1-naphthyl)ethanamine, (s)-(-)-(1-naphthyl)ethylamine

Molecular Formula

C₁₂H₁₃N

Molecular Weight

171.24 g/mol

InChI Key

RTCUCQWIICFPOD-VIFPVBQESA-N

1 2D Structure

CAS 10420-89-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-1-naphthalen-1-ylethanamine

2.1.2 InChI

InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1

2.1.3 InChI Key

RTCUCQWIICFPOD-VIFPVBQESA-N

2.1.4 Canonical SMILES

CC(C1=CC=CC2=CC=CC=C21)N

2.1.5 Isomeric SMILES

C[C@@H](C1=CC=CC2=CC=CC=C21)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 10420-89-0

2. (s)-1-(naphthalen-1-yl)ethanamine

3. (1s)-1-(naphthalen-1-yl)ethan-1-amine

4. (1s)-1-naphthalen-1-ylethanamine

5. (1s)-1-(1-naphthyl)ethanamine

6. (s)-(-)-(1-naphthyl)ethylamine

7. (s)-alpha-methyl-1-naphthalenemethanamine

8. (s)-1-(1-naphthyl)ethylamine

9. S-(-)-1-(1-naphthyl)ethylamine

10. 1-naphthalenemethanamine, Alpha-methyl-, (alphas)-

11. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-

12. (s)-(-)-alpha-(1-naphthyl)ethylamine

13. Mfcd00064179

14. (s)-(-)-.alpha.-(1-naphthyl)ethylamine

15. Ai3-26858

16. Schembl335062

17. (s)-alpha-naphthyl Ethyl Amine

18. (s)-1-(1-naphthyl)ethanamine

19. (s)-1-(1-naphthyl)ethyl Amine

20. Dtxsid201014549

21. L-.alpha.-(1-naphthyl)ethylamine

22. (s)-1-naphthalen-1-yl-ethylamine

23. Act02376

24. Cs-b0323

25. Zinc1701854

26. Akos015840615

27. Ac-6138

28. Ds-1633

29. Fs-2383

30. L-.alpha.-(.alpha.-naphthyl)ethylamine

31. S-(-)-1-(.alpha.-naphthyl)ethylamine

32. (1s)-(-)-1-(naphth-1-yl)ethylamine

33. (s)- (+)-alpha-(1-naphthyl)ethylamine

34. Bp-12898

35. (r)-(+)-alpha-(1-aminoethyl)naphthalene

36. (s)-(-)-a-methyl-1-naphthalenemethylamine

37. (s)-.alpha.-methyl-1-naphthalenemethanamine

38. Am20020136

39. N0482

40. (s)-(-)-1-(1-naphthyl)ethylamine, >=99%

41. 420n890

42. 1-naphthalenemethanamine, Alpha-methyl-, (s)-(-)-

43. 1-naphthalenemethanamine, Alpha-methyl-, (.alpha.s)-

44. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-(-)-

45. (s)-(-)-1-(1-naphthyl)ethylamine, Chipros(r), Produced By Basf, >=98.5% (gc)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₃N
Molecular Weight	171.24 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	171.104799419 g/mol
Monoisotopic Mass	171.104799419 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1