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2D Structure
Also known as: 534-03-2, Serinol, 2-aminopropane-1,3-diol, 1,3-propanediol, 2-amino-, 2-amino-1,3-propandiol, 2-amino-1,3-dihydroxypropane
Molecular Formula
C3H9NO2
Molecular Weight
91.11  g/mol
InChI Key
KJJPLEZQSCZCKE-UHFFFAOYSA-N
FDA UNII
IC94L30J8M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-aminopropane-1,3-diol
2.1.2 InChI
InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
2.1.3 InChI Key
KJJPLEZQSCZCKE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(CO)N)O
2.2 Other Identifiers
2.2.1 UNII
IC94L30J8M
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-aminopropane-1,3-diol

2. Serinol

3. Serinol, (+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 534-03-2

2. Serinol

3. 2-aminopropane-1,3-diol

4. 1,3-propanediol, 2-amino-

5. 2-amino-1,3-propandiol

6. 2-amino-1,3-dihydroxypropane

7. Einecs 208-584-0

8. Unii-ic94l30j8m

9. Ic94l30j8m

10. Nsc-93746

11. Ec 208-584-0

12. 2-aminopropan-1,3-diol

13. Dl-serinol

14. Mfcd00051487

15. Serinol, 98%

16. 2-amino-propane-1,3-diol

17. 1,3-dihydroxy-2-propylamine

18. Chembl116834

19. Dtxsid2060202

20. 1,3-dihydroxyisopropylamine

21. Bcp04588

22. Nsc93746

23. Str04075

24. 2-hydroxy-1-hydroxymethyl-ethylamine

25. Nsc 93746

26. Stl185545

27. Akos006222776

28. Bcp9000083

29. Cs-w007357

30. Sb83775

31. [2-hydroxy-1-(hydroxymethyl)ethyl]amine

32. Ac-13723

33. Bp-10859

34. Sel

35. Bcp0726000041

36. A1252

37. Am20100310

38. Ft-0601229

39. 2-hydroxy-1-(hydroxymethyl)ethylamine

40. En300-84186

41. F10927

42. W-105738

43. Q16068659

44. F1905-7141

45. Z1203577940

46. Inchi=1/c3h9no2/c4-3(1-5)2-6/h3,5-6h,1-2,4h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 91.11 g/mol
Molecular Formula C3H9NO2
XLogP3-2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66.5
Heavy Atom Count6
Formal Charge0
Complexity28
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1