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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 3-aminopropanoic acid, 107-95-9, 3-aminopropionic acid, Beta alanine, Abufene, H-beta-ala-oh

Molecular Formula

C₃H₇NO₂

Molecular Weight

89.09 g/mol

InChI Key

UCMIRNVEIXFBKS-UHFFFAOYSA-N

FDA UNII

11P2JDE17B

An amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported.

1 2D Structure

Beta-Alanine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-aminopropanoic acid

2.1.2 InChI

InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

2.1.3 InChI Key

UCMIRNVEIXFBKS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CN)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

11P2JDE17B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3 Aminopropionic Acid

2. 3-aminopropionic Acid

3. Beta Alanine

4. Beta Alanine Hydrochloride

5. Beta Alanine, Monopotassium Salt

6. Beta Alanine, Monosodium Salt

7. Beta-alanine Hydrochloride

8. Beta-alanine, Calcium Salt (2:1)

9. Beta-alanine, Monopotassium Salt

10. Beta-alanine, Monosodium Salt

11. Hydrochloride, Beta-alanine

2.3.2 Depositor-Supplied Synonyms

1. 3-aminopropanoic Acid

2. 107-95-9

3. 3-aminopropionic Acid

4. Beta Alanine

5. Abufene

6. H-beta-ala-oh

7. Beta-aminopropionic Acid

8. 2-carboxyethylamine

9. .beta.-alanine

10. Alanine, Beta-

11. Beta-ala

12. Propanoic Acid, 3-amino-

13. 3-aminopropionsaeure

14. Beta-aminopropionsaeure

15. Omega-aminopropionic Acid

16. B-alanine

17. 3-aminopropanoate

18. Fema No. 3252

19. .beta.-aminopropionic Acid

20. 3-amino-propionic Acid

21. Beta-alaine

22. Ai3-18470

23. Nsc 7603

24. Beta-alanine, Homopolymer

25. Mfcd00008200

26. 87867-95-6

27. 11p2jde17b

28. Chembl297569

29. Chebi:16958

30. Nsc7603

31. Nsc-7603

32. 3-aminopropanoic Acid (beta-alanine)

33. 25513-34-2

34. Beta-alanin

35. Alanine, Beta

36. Einecs 203-536-5

37. Unii-11p2jde17b

38. Alanine-beta

39. Beta -alanine

40. Beta- Alanine

41. Beta--alanine

42. B-aminopropanoate

43. B-aminopropionate

44. Beta-alanine;

45. Beta-alanine #

46. 3-aminopropionate

47. Aminopropionic Acid

48. 3-amino-propanoate

49. Beta-aminopropanoate

50. Beta-aminopropionate

51. A-ala

52. Abufene (tn)

53. Omega-aminopropionate

54. B-aminopropanoic Acid

55. B-aminopropionic Acid

56. Beta-alanine, 99%

57. Tocris-0206

58. 3-amino-propanoic Acid

59. Propanoic Acid, Amino-

60. Beta-aminopropanoic Acid

61. H2nch2ch2cooh

62. H-

63. A-ala-oh

64. H-?-ala-oh

65. Bmse000159

66. Bmse000967

67. Bmse001019

68. Alanine, .beta.-

69. Ec 203-536-5

70. .omega.-aminopropionic Acid

71. Beta-alanine [inci]

72. Oprea1_583450

73. Beta-alanine [vandf]

74. .beta.-alanine [mi]

75. Beta Alanine [usp-rs]

76. Beta-alanine [who-dd]

77. Beta-alanine, >=98%, Fg

78. Gtpl2365

79. .beta.-alanine [fhfi]

80. Dtxsid0030823

81. 3-aminopropanoic Acidbeta-alanine

82. Beta-alanine (6ci,8ci,9ci)

83. Beta-alanine, Analytical Standard

84. Beta-alanine, Cell Culture Reagent

85. Act04890

86. Hy-n0230

87. Str03358

88. Zinc4658555

89. Bbl037332

90. Bdbm50000102

91. Pdsp1_000144

92. Pdsp2_000143

93. S5526

94. Stk301638

95. Akos000119659

96. Cs-w020126

97. Db03107

98. Ncgc00024495-01

99. Ncgc00024495-02

100. Bp-10083

101. Beta-alanine, Bioxtra, >=99.0% (nt)

102. Beta-alanine, Bioultra, >=99.0% (nt)

103. Db-022630

104. A0180

105. Am20080020

106. Ft-0622549

107. Ft-0773034

108. C00099

109. D07561

110. 107a959

111. Q310919

112. Sr-01000597690

113. Q-200704

114. Sr-01000597690-1

115. Z57127544

116. F2191-0213

117. 7ca041ef-5103-439a-9d84-1761529ba8da

118. Beta-alanine, United States Pharmacopeia (usp) Reference Standard

119. Pamidronate Disodium Pentahydrate Impurity A [ep Impurity]

120. Beta Alanine, Pharmaceutical Secondary Standard; Certified Reference Material

121. Beta-alanine, Bioreagent, Suitable For Cell Culture, Suitable For Insect Cell Culture

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₃H₇NO₂
Molecular Weight	89.09 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	89.047678466 g/mol
Monoisotopic Mass	89.047678466 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	52.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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