CAS 5500-21-0

1 2D Structure

CAS 5500-21-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclopropanecarbonitrile

2.1.2 InChI

InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2

2.1.3 InChI Key

AUQDITHEDVOTCU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5500-21-0

2. Cyclopropyl Cyanide

3. Cyanocyclopropane

4. Cyclopropylnitrile

5. Cyclopropanenitrile

6. 1-cyanocyclopropane

7. Cyclopropane Carbonitrile

8. Mfcd00001269

9. Cyclopropane Cyanide

10. Cyclopropancarbonitril

11. Cyclopropylcyanide

12. Einecs 226-836-8

13. Nsc 60191

14. Cyclopropankohlenitrile

15. Ai3-07023

16. Unii-afu99gzs5d

17. Afu99gzs5d

18. Cyclopropanecarbonitrile, 98%

19. Dtxsid1063936

20. Amy3403

21. Cyclopropanecarboxylic Acid Nitrile

22. Act03326

23. Cs-d1406

24. Nsc60191

25. Zinc1690063

26. Nsc-60191

27. Stk328117

28. Akos000121165

29. Bp-10177

30. Db-007375

31. Ft-0602346

32. A830440

33. Q5198968

34. F0001-1444

35. Z1245735215

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₅N
Molecular Weight	67.09 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	67.042199164 g/mol
Monoisotopic Mass	67.042199164 g/mol
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	72.9
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

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