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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 541-48-0, Dl-3-aminobutyric acid, 3-aminobutyric acid, 2835-82-7, Beta-aminobutyric acid, Butanoic acid, 3-amino-

Molecular Formula

C₄H₉NO₂

Molecular Weight

103.12 g/mol

InChI Key

OQEBBZSWEGYTPG-UHFFFAOYSA-N

FDA UNII

4282SA5CTS

1 2D Structure

3-Aminobutanoic acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-aminobutanoic acid

2.1.2 InChI

InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)

2.1.3 InChI Key

OQEBBZSWEGYTPG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(CC(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

4282SA5CTS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-aminobutyric Acid

2. 3-aminobutyric Acid, (+-)-isomer

3. 3-aminobutyric Acid, (r)-isomer

4. 3-aminobutyric Acid, (s)-isomer

5. Baba Cpd

6. Beta-aminobutyric Acid

7. Dl-3-aminobutyric Acid

2.3.2 Depositor-Supplied Synonyms

1. 541-48-0

2. Dl-3-aminobutyric Acid

3. 3-aminobutyric Acid

4. 2835-82-7

5. Beta-aminobutyric Acid

6. Butanoic Acid, 3-amino-

7. Dl-3-aminobutanoic Acid

8. Baba

9. Dl-3-amino-n-butyric Acid

10. Carbocreatine

11. Butyric Acid, 3-amino-

12. Dl-beta-aminobutyric Acid

13. (+/-)-3-aminobutyric Acid

14. 3-amino-butyric Acid

15. 3-methyl-beta-alanine

16. 3-amino-butanoic Acid

17. .beta.-aminobutyric Acid

18. 3-aminopent-4-ynoic Acid

19. Dl-.beta.-aminobutyric Acid

20. (+/-)-3-aminobutanoic Acid

21. (3s)-3-amino-butanoic Acid

22. H-beta-hoala-oh.hcl

23. 4282sa5cts

24. Chebi:37081

25. Dl-beta-amino-n-butyric Acid

26. Mfcd00008087

27. Nsc 77380

28. Nsc-77380

29. R-3-aminobutyric Acid

30. 60625-83-4

31. Dl-beta-homo-alanine

32. (3r)-3-amino-butanoic Acid

33. Einecs 208-783-2

34. Einecs 220-617-0

35. Unii-4282sa5cts

36. B-homoalanine

37. Ai3-26821

38. Mfcd00211284

39. Mfcd00270347

40. Butyric Acid, 3-amino-, Dl-

41. Dl-3-aminobutyric

42. Tungsten(vi)oxychloride

43. Dl-ec-aminobutyric Acid

44. Dl-.beta.-aminobutyrate

45. Dolutegravir Intermediates

46. .beta.-aminobutanoic Acid

47. 3-amino-dl-butyric Acid

48. H-dl-abu(3)-oh

49. Dl-beta-aminobutyric Acid Dl-3-aminobutyric Acid

50. Schembl44574

51. .beta.-amino-n-butyric Acid

52. 3-aminobutanoic Acid, 97%

53. Butyric Acid, (.+-.)-

54. Mls000069399

55. .beta.-methyl-.beta.-alanine

56. Chembl1995111

57. Dl-.beta.-amino-n-butyric Acid

58. Dtxsid4040975

59. 3-methyl-.beta.-alanine

60. 3-amino-(.+-.)-butyric Acid

61. 3-amino-(.+-.)-butanoic Acid

62. (rs)-3-aminobutanoic Acid

63. (.+-.)-.beta.-aminobutyric Acid

64. Albb-014344

65. Nsc77380

66. Butyric Acid, .beta.-amino-

67. Akos005174346

68. .beta.-aminobutyric Acid [mi]

69. Ab87426

70. Ab87563

71. Butyric Acid, 3-amino-, (.+-.)-

72. Cs-w009549

73. Hy-w008833

74. (+/-)-3-amino-n-butyric Acid

75. (+/-)-.beta.-aminobutyric Acid

76. 167222-96-0

77. As-11703

78. Nci60_041705

79. Smr000058404

80. Sy019803

81. Sy022577

82. Sy022578

83. (+)-dimet 2,3-o-isopropylidened-tartrate

84. Db-105356

85. Db-105357

86. .beta.-aminobutyric Acid, (+/-)-

87. A0281

88. A5389

89. Am20100428

90. Ft-0625401

91. Ft-0650753

92. Ft-0650754

93. Ft-0689095

94. A-5230

95. A829994

96. J-502211

97. J-640366

98. J-800369

99. Q3604567

100. 3-aminobutanoic Acid, Vetec(tm) Reagent Grade, 97%

101. Z271099482

102. 4-amino-5-(2-methoxyphenyl)-2h-1,2,4-triazole-3-thione

103. 0b9fe31a-1286-4b2b-b64e-4a3871898b12

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO₂
Molecular Weight	103.12 g/mol
XLogP3	-3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	103.063328530 g/mol
Monoisotopic Mass	103.063328530 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.1
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

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