CAS 22374-89-6

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Also known as: 4-phenylbutan-2-amine, 22374-89-6, 2-amino-4-phenylbutane, 3-amino-1-phenylbutane, 22148-77-2, 1-phenyl-3-aminobutane

Molecular Formula

C₁₀H₁₅N

Molecular Weight

149.23 g/mol

InChI Key

WECUIGDEWBNQJJ-UHFFFAOYSA-N

FDA UNII

326655W66Z

1 2D Structure

CAS 22374-89-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-phenylbutan-2-amine

2.1.2 InChI

InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3

2.1.3 InChI Key

WECUIGDEWBNQJJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CCC1=CC=CC=C1)N

2.2 Other Identifiers

2.2.1 UNII

326655W66Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-amino-1-phenylbutane

2. 3-amino-1-phenylbutane Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 4-phenylbutan-2-amine

2. 22374-89-6

3. 2-amino-4-phenylbutane

4. 3-amino-1-phenylbutane

5. 22148-77-2

6. 1-phenyl-3-aminobutane

7. 4-phenyl-2-aminobutane

8. 4-phenyl-2-butylamine

9. Propylamine, 1-methyl-3-phenyl-

10. Benzenepropanamine, .alpha.-methyl-

11. 1-phenyl-3-amino-butan

12. Benzenepropanamine, Alpha-methyl-

13. Nsc 115524

14. 1-methyl-3-phenyl-propylamine

15. .alpha.-methylbenzenepropanamine

16. 3-phenyl-1-methylpropylamine

17. (r)-alpha-methylbenzenepropanamine

18. Nsc-115524

19. Benzenepropanamine, Alpha-methyl-, (r)-

20. 326655w66z

21. Alpha-methylbenzenepropanamine

22. 1-phenyl-3-amino-butan [german]

23. Einecs 244-942-2

24. Alpha-methyl-gamma-phenyl-n-propylamine

25. Brn 2413110

26. Alpha-methyl-gamma-phenyl-n-propylamin [german]

27. Unii-326655w66z

28. Nsc115524

29. Alpha-methyl-gamma-phenyl-n-propylamin

30. 1-phenyl-3-butylamine

31. 4-phenyl-2-butanamine

32. Propylamine, Alpha-methyl-gamma-phenyl-

33. Schembl1280

34. 1-methy-3-phenylpropylamine

35. (3-aminobutyl)benzene

36. 1-methyl 3-phenyl-propylamine

37. Wecuigdewbnqjj-uhfffaoysa-

38. Dtxsid60871334

39. Methyl-(3-phenylpropyl)-

40. Amy40882

41. 1-methyl-3-phenylpropylamine, 98%

42. Mfcd00008090

43. Stl193993

44. Akos000119752

45. Akos016051338

46. Ac-8354

47. Ps-5334

48. Sb47247

49. [(1s)-1-methyl-3-phenyl-propyl]ammonium

50. .alpha.-methyl-.gamma.-phenyl-n-propylamine

51. A0999

52. Cs-0022291

53. Ft-0604461

54. Ft-0605036

55. Ft-0605241

56. Ft-0608062

57. Propylamine, .alpha.-methyl-.gamma.-phenyl-

58. A815973

59. A816167

60. W-107477

61. Q27256149

62. F2190-0401

63. Z1245664618

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅N
Molecular Weight	149.23 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	149.120449483 g/mol
Monoisotopic Mass	149.120449483 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95
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