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MolPort-001-759-125

MolPort-001-759-125

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Also known as: 124-68-5, 2-amino-2-methylpropan-1-ol, Aminomethylpropanol, 1-propanol, 2-amino-2-methyl-, 2-aminoisobutanol, Isobutanol-2-amine

Molecular Formula

C₄H₁₁NO

Molecular Weight

89.14 g/mol

InChI Key

CBTVGIZVANVGBH-UHFFFAOYSA-N

FDA UNII

LU49E6626Q

1 2D Structure

MolPort-001-759-125

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-2-methylpropan-1-ol

2.1.2 InChI

InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3

2.1.3 InChI Key

CBTVGIZVANVGBH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(CO)N

2.2 Other Identifiers

2.2.1 UNII

LU49E6626Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-amino-2-methyl-1-propanol Hydrochloride

2. 2-amino-2-methyl-1-propanol Mesylate

3. 2-amino-2-methyl-1-propanol Nitrate Salt

4. 2-amino-2-methyl-1-propanol Tosylate

5. 2-amino-2-methylpropanol

6. Aminomethyl Propanol

2.3.2 Depositor-Supplied Synonyms

1. 124-68-5

2. 2-amino-2-methylpropan-1-ol

3. Aminomethylpropanol

4. 1-propanol, 2-amino-2-methyl-

5. 2-aminoisobutanol

6. Isobutanol-2-amine

7. Amp Regular

8. 2-amino-2-methylpropanol

9. Aminomethyl Propanol

10. 2-methyl-2-aminopropanol

11. 2-aminodimethylethanol

12. 2-amino-2-methyl-propan-1-ol

13. Hydroxy-tert-butylamine

14. Corrguard 75

15. 2-amino-2,2-dimethylethanol

16. Amp (thinner)

17. Amp-95

18. Isobutanolamine

19. 1,1-dimethyl-2-hydroxyethylamine

20. 2-methyl-2-aminopropanol-1

21. 2-hydroxymethyl-2-propylamine

22. Amp 95

23. 2-amino-1-hydroxy-2-methylpropane

24. .beta.-aminoisobutanol

25. Amp 75

26. Nsc 441

27. Kv 5088

28. Mfcd00008051

29. Nsc-441

30. Lu49e6626q

31. Dsstox_cid_7032

32. Dsstox_rid_78283

33. Dsstox_gsid_27032

34. Beta-aminoisobutanol

35. Caswell No. 037

36. Beta-aminoisobutyl Alcohol

37. Cas-124-68-5

38. Hsdb 5606

39. Einecs 204-709-8

40. Epa Pesticide Chemical Code 005801

41. Brn 0505979

42. Unii-lu49e6626q

43. 2-methyl-2-amino-1-propanol

44. Ai3-03947

45. A-aminoisobutyl Alcohol

46. 2,2-dimethyl-ethanolamine

47. Amino-2,2-dimethylethanol

48. 2-amino 2-methyl Propanol

49. 2-amino-2-methyl Propanol

50. 2-amino-2-methyl-1-propanol (90% Or Less)

51. Ec 204-709-8

52. Hydroxymethyl-2-propylamine

53. 2-amino-2-methyl-propanol

54. Amino-2-methyl-1-propanol

55. H2nc(ch3)2ch2oh

56. Nciopen2_009031

57. 2-amino-2-methyl-1propanol

58. 2-amino-2-methylpropan-1ol

59. 2amino-2-methyl-1-propanol

60. Oprea1_147215

61. 2-amino-2-methylpropan-l-ol

62. 2-amino-2-methyl 1-propanol

63. 2-amino-2-methyl-1 Propanol

64. 2-methyl-2-aminopropan-1-ol

65. 1-propanol-2-amino-2-methyl

66. Amp, Technical Grade, 95%

67. 2-amino-2,2,dimethyl-ethanol

68. Chembl122588

69. Nsc441

70. 2-amino-2 -methyl-1-propanol

71. 2-amino-2- Methylpropan-1-ol

72. 2-amino-2-methyl-1 -propanol

73. Aminomethylpropanol [ii]

74. Dtxsid8027032

75. 2-amino-2-methyl-propane-1-ol

76. 2-hydroxy-1,1-dimethylethylamine

77. 1-hydroxy-2-methyl-2-propylamine

78. 3-hydroxy-2-methyl-2-propylamine

79. 1-hydroxy-2-methyl-2-aminopropane

80. Aminomethyl Propanol [inci]

81. Amy25550

82. Str01693

83. Zinc1555527

84. Tox21_201780

85. Tox21_303149

86. 2-amino-2-methylpropanol (~95%)

87. Bbl023024

88. Stl284638

89. 1-propanol,2-amino,2-methyl

90. Akos000119511

91. Wln: Zx1 & 1 & 1q

92. Cs-w013743

93. Sb83772

94. 2-amino-2-methylpropanol [hsdb]

95. Ncgc00249118-01

96. Ncgc00257048-01

97. Ncgc00259329-01

98. 2-amino-2-methyl-1-propanol, 93-97%

99. 2-amino-2-methyl-1-propanol [mi]

100. Db-041780

101. A0333

102. Ft-0611018

103. Ft-0661937

104. 2-amino-2-methyl-1-propanol [vandf]

105. 2-amino-2-methyl-1-propanol [who-dd]

106. P20005

107. Q32703

108. 2-amino-2-methyl-1-propanol, Bioxtra, >=95%

109. A805277

110. Q-200228

111. 2-amino-2-methyl-1-propanol, Technical Grade, 95%

112. 2-amino-2-methyl-1-propanol, Purum, >=97.0% (gc)

113. 2-amino-2-methyl-1-propanol, Technical, >=90% (gc)

114. F2190-0372

115. 2-amino-2-methyl-1-propanol, Bioultra, >=99.0% (gc)

116. 2-amino-2-methyl-1-propanol, Saj First Grade, >=98.0%

117. 2-amino-2-methyl-1-propanol, ~5% Water, Technical Grade, 90%

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₁NO
Molecular Weight	89.14 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	89.084063974 g/mol
Monoisotopic Mass	89.084063974 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	42.8
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

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

3. 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB).

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-74

5 Pharmacology and Biochemistry

5.1 Absorption, Distribution and Excretion

METABOLISM AND DISTRIBUTION OF (3)H-LABELED 2-AMINO-2-METHYLPROPANOL WAS STUDIED IN RATS RECEIVING NORMAL OR CHOLINE-DEFICIENT DIETS. TRITIUM APPEARED IN THE SERUM OF BOTH GROUPS 30 MIN AFTER THE IP INJECTION BUT THE LEVEL WAS GENERALLY LOWER IN THE CHOLINE-DEFICIENT GROUP. RATS ON THE NORMAL DIET EXCRETED MORE OF THE AMINO ACID IN THE URINE THAN DID THE CHOLINE-DEFICIENT RATS IN BOTH GROUPS ONLY THE UNCHANGED AMINO ACID WAS EXCRETED. LIVERS FROM THE CHOLINE-DEFICIENT GROUP HAD A GREATER UPTAKE AND RETENTION OF THE LABEL THAN THOSE FROM NORMAL RATS. MOST OF THE LABEL WAS FOUND IN THE CYTOSOL OF BOTH LIVER AND KIDNEY.

YUE KT N ET AL; METABOLISM OF 2-AMINO-2-METHYLPROPANOL IN YOUNG RATS; ARCH BIOCHEM BIOPHYS 136(1) 47 (1970)