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CAS 10420-89-0
PharmaCompass
CAS 10420-89-0
Also known as: 10420-89-0, (s)-1-(naphthalen-1-yl)ethanamine, (s)-(-)-alpha-(1-naphthyl)ethylamine, (s)-1-(1-naphthyl)ethylamine, (1s)-1-(1-naphthyl)ethanamine, (1s)-1-(naphthalen-1-yl)ethan-1-amine
Molecular Formula
C12H13N
Molecular Weight
171.243  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. (s)-(-)-alpha-(1-naphthyl)ethylamine

4. (s)-1-(1-naphthyl)ethylamine

5. (1s)-1-(1-naphthyl)ethanamine

6. (1s)-1-(naphthalen-1-yl)ethan-1-amine

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

8. Rtcucqwiicfpod-vifpvbqesa-n

9. S-(-)-1-(1-naphthyl)ethylamine

10. (s)-(-)-(1-naphthyl)ethylamine

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

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

13. Pubchem7988

14. Ai3-26858

15. Ac1q29hj

16. Ksc177c1d

17. Schembl335062

18. 1-naphthalenemethanamine, Alpha-methyl-, (alphas)-

19. Ac1l254i

20. (s)-alpha-naphthyl Ethyl Amine

21. (s)-1-(1-naphthyl)ethanamine

22. Ctk0h7111

23. (s)-1-(1- Naphtyl)ethylamine

24. Molport-001-761-176

25. L-.alpha.-(1-naphthyl)ethylamine

26. (1s)-1-naphthalen-1-ylethanamine

27. (s)-1-naphthalen-1-yl-ethylamine

28. Act02376

29. Cs-b0323

30. Zinc1701854

31. Anw-15047

32. Mfcd00064179

33. (1s)-1-(naphthalen-1-yl)ethanamine

34. Akos015840615

35. Ac-6138

36. Ds-1633

37. Fs-2383

38. Rl00202

39. Rtr-000958

40. (s)-(-)-1-(1-naphthyl)ethyl Amine

41. Ks-000005k8

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

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

44. (1s)-(-)-1-(naphth-1-yl)ethylamine

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

46. Aj-30519

47. Ak-32722

48. An-10359

49. Bp-12898

50. Br-32722

51. Kb-03502

52. Or080442

53. Or217680

54. Sc-00175

55. Sy004251

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

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

58. Ab0030722

59. Db-015887

60. St2408231

61. Tr-000958

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

63. Am20020136

64. Ft-0082096

65. Ft-0601942

66. Lt03380068

67. N0482

68. Tl80073728

69. X2942

70. S-1948

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

72. Naphthalenemethanamine, A-methyl-, (s)-

73. 420n890

74. 1-naphthalenemethanamine, Alpha-methyl-, (s)-(-)-

75. I14-4350

76. 1-naphthalenemethanamine, Alpha-methyl-, (.alpha.s)-

77. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-(-)-

78. (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 Weight 171.243 g/mol
Molecular Formula C12H13N
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass171.105 g/mol
Monoisotopic Mass171.105 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count13
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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