Propatylnitrate

Synopsis, Chemistry

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Also known as: Propatylnitrate, 2921-92-8, Etrynit, Ettn, Win 9317, Propatyl nitrate [usan]

Molecular Formula

C₆H₁₁N₃O₉

Molecular Weight

269.17 g/mol

InChI Key

YZZCJYJBCUJISI-UHFFFAOYSA-N

FDA UNII

AJT2YN495R

1 2D Structure

Propatylnitrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-bis(nitrooxymethyl)butyl nitrate

2.1.2 InChI

InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3

2.1.3 InChI Key

YZZCJYJBCUJISI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

AJT2YN495R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,1,1-tris(hydroxymethyl)propane Nitrate

2.3.2 Depositor-Supplied Synonyms

1. Propatylnitrate

2. 2921-92-8

3. Etrynit

4. Ettn

5. Win 9317

6. Propatyl Nitrate [usan]

7. 2,2-bis(nitrooxymethyl)butyl Nitrate

8. Propatylnitrate [inn]

9. Ett-n

10. Propylidynetrimethyl Trinitrate

11. Ajt2yn495r

12. 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Trinitrate

13. Win-9317

14. Propatylnitrate (inn)

15. Propatyl Nitrate (usan)

16. 1,3-propanediol, 2-ethyl-2-((nitrooxy)methyl)-, Dinitrate (ester)

17. Gina; Ginapect;vasangor; Vassangor; Win 9317

18. Propatilnitrato

19. Propatylnitratum

20. Unii-ajt2yn495r

21. Propatylnitrat

22. Propatylnitratum [inn-latin]

23. Propatilnitrato [inn-spanish]

24. Einecs 220-866-5

25. Etrynit (tn)

26. Propatyl Nitrate [mi]

27. Schembl214199

28. Chembl488280

29. Propatylnitrate [mart.]

30. Propatylnitrate [who-dd]

31. Dtxsid40183467

32. Chebi:135104

33. Zinc8214664

34. Db13255

35. Ft-0605955

36. D05627

37. Q7250097

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁N₃O₉
Molecular Weight	269.17 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	269.04952894 g/mol
Monoisotopic Mass	269.04952894 g/mol
Topological Polar Surface Area	165 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	257
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