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2D Structure
Also known as: 627-31-6, Trimethylene diiodide, Propane, 1,3-diiodo-, Trimethylene iodide, K9qfa94xgy, Mfcd00001097
Molecular Formula
C3H6I2
Molecular Weight
295.89  g/mol
InChI Key
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
FDA UNII
K9QFA94XGY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-diiodopropane
2.1.2 InChI
InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
2.1.3 InChI Key
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CI)CI
2.2 Other Identifiers
2.2.1 UNII
K9QFA94XGY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 627-31-6

2. Trimethylene Diiodide

3. Propane, 1,3-diiodo-

4. Trimethylene Iodide

5. K9qfa94xgy

6. Mfcd00001097

7. Nsc-35647

8. 1,3-diiodopropane(stabilized With Copper Chip)

9. Einecs 210-993-4

10. Nsc 35647

11. Brn 1731117

12. Ai3-52340

13. Propane,3-diiodo-

14. 1,3-diiodo-propane

15. Unii-k9qfa94xgy

16. 1,3-diiodopropane Over Cu

17. 4-01-00-00228 (beilstein Handbook Reference)

18. Schembl133732

19. Dtxsid7060837

20. Nsc35647

21. Zinc95678990

22. Akos015913313

23. Cs-w012156

24. Ds-5063

25. Sy045006

26. 1,3-diiodopropane(stabilizedwithcopperchip)

27. D0611

28. Ft-0606671

29. 1,3-diiodopropane,contains Copper As Stabilizer

30. A833960

31. Q161505

32. J-802014

33. 1,3-diiodopropane, 99%, Contains Copper As Stabilizer

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 295.89 g/mol
Molecular Formula C3H6I2
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass295.85590 g/mol
Monoisotopic Mass295.85590 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1