CAS 6850-28-8

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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

CAS 6850-28-8

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 Formula	C₆H₁₅NO₅
Molecular Weight	181.19 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	181.09502258 g/mol
Monoisotopic Mass	181.09502258 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	85.1
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	2