CAS 42882-31-5

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CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
13 Related Intermediates

Chemistry

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Also known as: 42882-31-5, (+/-)1-(1-naphthyl)ethylamine, 1-(naphthalen-1-yl)ethanamine, 1-naphthalen-1-ylethanamine, 1-(1-naphthyl)ethanamine, (+/-)-1-(1-naphthyl)ethylamine

Molecular Formula

C₁₂H₁₃N

Molecular Weight

171.24 g/mol

InChI Key

RTCUCQWIICFPOD-UHFFFAOYSA-N

1 2D Structure

CAS 42882-31-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.3 InChI Key

RTCUCQWIICFPOD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1-naetam

2.2.2 Depositor-Supplied Synonyms

1. 42882-31-5

2. (+/-)1-(1-naphthyl)ethylamine

3. 1-(naphthalen-1-yl)ethanamine

4. 1-naphthalen-1-ylethanamine

5. 1-(1-naphthyl)ethanamine

6. (+/-)-1-(1-naphthyl)ethylamine

7. Dl-1-(1-naphthyl)ethylamine

8. 1-(naphthalen-1-yl)ethan-1-amine

9. R-(+)-1-(1-naphthyl)ethylamine

10. 1-(1-napthyl)ethylamine

11. Mfcd00004014

12. 1-(1-naphthyl)ethanamine #

13. 1-naphthalen-1-yl-ethylamine

14. Mfcd00064114

15. 3309-13-5

16. (r)-(+)-alpha-(1-naphthyl)ethylamine

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

18. Nsc 75881

19. Nsc180601

20. Anea

21. Cinacalcet Impurity A

22. Nsc 180601

23. Alpha-naphthylethylamine

24. Starbld0002964

25. 1-naphthalenemethanamine, .alpha.-methyl-

26. 1-naphthalenemethanamine, .alpha.-methyl-, (s)-

27. Alpha-naphthyl Ethyl Amine

28. 1-(naphth-1-yl)ethylamine

29. Schembl128713

30. Chembl217783

31. Schembl1906169

32. Schembl21538667

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

34. Dl-1-(1-naphthyl)-ethyl Amine

35. Dtxsid40885878

36. 1-(1-naphthyl)ethylamine, 98%

37. (+/-)-1-(1-naphthyl)ethanamine

38. Albb-002137

39. Amy31218

40. Bcp19747

41. Cs-m0087

42. Dl-alpha-(1-aminoethyl)naphthalene

43. Nsc75881

44. Nsc75882

45. .+/-.-1-(1-naphthyl)ethylamine

46. Einecs 223-425-5

47. Bbl017842

48. Nsc-75881

49. Nsc-75882

50. Stk486972

51. 1-naphthalenemethanamine, (.+-.)-

52. Akos000121452

53. Akos016050384

54. Nsc-180601

55. Pb48766

56. Sb36972

57. 1-naphthalenemethanamine, Alpha-methyl-

58. Ds-14626

59. Sy020862

60. Sy032143

61. (r)-alpha-methyl-1-naphthalenemethanamine

62. Ai3-26857

63. Db-015887

64. Db-018070

65. Db-050983

66. Ft-0601942

67. Ft-0604442

68. Ft-0605082

69. Ft-0672644

70. Ft-0690506

71. N0523

72. A826048

73. 1-naphthalenemethanamine, Alpha-methyl-, (alphar)-

74. 1-naphthalenemethanamine, Alpha-methyl-, (r)-(+)-

75. J-500066

76. 1-naphthalenemethanamine, .alpha.-methyl-, (.+/-.)-

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

78. 1-naphthalenemethanamine, .alpha.-methyl-, (.alpha.s)-

79. Z1891772896

80. Cyclopropylmethyl Cyclobutanecarboxylate;1-(1-naphthyl)ethylamine

2.3 Create Date

2005-03-26

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	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1