Azetidine

Synopsis, Chemistry

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Also known as: 503-29-7, Trimethylene imine, Azacyclobutane, Trimethylenimine, 1,3-propylenimine, Azetidine, homopolymer

Molecular Formula

C₃H₇N

Molecular Weight

57.09 g/mol

InChI Key

HONIICLYMWZJFZ-UHFFFAOYSA-N

FDA UNII

37S883XDWR

1 2D Structure

Azetidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azetidine

2.1.2 InChI

InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2

2.1.3 InChI Key

HONIICLYMWZJFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNC1

2.2 Other Identifiers

2.2.1 UNII

37S883XDWR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,3-propylenimine

2. Azacyclobutane

3. Trimethylenimine

2.3.2 Depositor-Supplied Synonyms

1. 503-29-7

2. Trimethylene Imine

3. Azacyclobutane

4. Trimethylenimine

5. 1,3-propylenimine

6. Azetidine, Homopolymer

7. 37s883xdwr

8. Chebi:30968

9. 53860-05-2

10. Azetidin

11. Azetidine, L-

12. Unii-37s883xdwr

13. Acetidine

14. Trimethyleneimine

15. Azete, Tetrahydro-

16. Einecs 207-963-8

17. Azetidine, 98%

18. Mfcd00005165

19. Ai3-61395

20. Chembl2171713

21. Dtxsid8060117

22. Niosh/cm4290000

23. Bcp22506

24. Zinc14951819

25. Akos000121515

26. Gc10189

27. Sb52174

28. Ps-11989

29. Db-023025

30. Am20080889

31. Bb 0254753

32. Cm42900000

33. Ft-0649642

34. 503a297

35. A828069

36. Q425376

37. W-105973

38. 1,3-propylenimine;azacyclobutane;azetidine;trimethylene Imine

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₃H₇N
Molecular Weight	57.09 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	57.057849228 g/mol
Monoisotopic Mass	57.057849228 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	17.2
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