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2D Structure
Also known as: 6850-28-8, Tris acetate, Tris-acetate, Trizma acetate, Tris(hydroxymethyl)aminomethane acetate salt, 2-amino-2-(hydroxymethyl)propane-1,3-diol acetate salt
Molecular Formula
C6H15NO5
Molecular Weight
181.19  g/mol
InChI Key
PIEPQKCYPFFYMG-UHFFFAOYSA-N
FDA UNII
YYB8UMN69X

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol
2.1.2 InChI
InChI=1S/C4H11NO3.C2H4O2/c5-4(1-6,2-7)3-8;1-2(3)4/h6-8H,1-3,5H2;1H3,(H,3,4)
2.1.3 InChI Key
PIEPQKCYPFFYMG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)O.C(C(CO)(CO)N)O
2.2 Other Identifiers
2.2.1 UNII
YYB8UMN69X
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6850-28-8

2. Tris Acetate

3. Tris-acetate

4. Trizma Acetate

5. Tris(hydroxymethyl)aminomethane Acetate Salt

6. 2-amino-2-(hydroxymethyl)propane-1,3-diol Acetate Salt

7. Tris Acetate Salt

8. 1,3-propanediol, 2-amino-2-(hydroxymethyl)-, Acetate (salt)

9. Acetic Acid;2-amino-2-(hydroxymethyl)propane-1,3-diol

10. 2-amino-2-(hydroxymethyl)propane-1,3-diol Acetate

11. Tris/acetate

12. Trizma(r) Acetate

13. Schembl194002

14. Trimethylolaminomethane Acetate

15. Chebi:66869

16. Mfcd00038951

17. Tris(hydroxymethyl)aminomethaneacetate

18. Akos016002242

19. Tris(hydroxymethylamino)methane Acetate

20. Tris-(hydroxymethyl) Aminomethane Acetate

21. As-15233

22. Db-017570

23. Trizma(r) Acetate, >=99.0% (titration)

24. Cs-0015190

25. Ft-0636274

26. T3294

27. F20305

28. 2-amino-2-hydroxymethyl-1,3-propanediol Acetate

29. Trizma(r) Acetate, Bioultra, >=99.0% (nt)

30. 2-amino-2-(hydroxymethyl)-1,3-propanediol Acetate

31. Trizma(r) Acetate, Vetec(tm) Reagent Grade, 99%

32. W-104667

33. (6-tert-butoxycarbonylamino-pyridin-2-yl)-aceticacid

34. 2-amino-2-(hydroxymethyl)propane-1,3-diolacetatesalt

35. Q27135481

36. 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium Acetate

37. 1,3-propanediol, 2-amino-2-(hydroxymethyl)-, Acetate

2.4 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 181.19 g/mol
Molecular Formula C6H15NO5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass181.09502258 g/mol
Monoisotopic Mass181.09502258 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count12
Formal Charge0
Complexity85.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2