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2D Structure
Also known as: 18381-45-8, Einecs 242-263-6, Dtxsid20171483, Dtxcid0093974, 242-263-6, 3-cyanopropionaldehyde diethyl acetal
Molecular Formula
C8H15NO2
Molecular Weight
157.21  g/mol
InChI Key
DRZCPHGVEATLFR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,4-diethoxybutanenitrile
2.1.2 InChI
InChI=1S/C8H15NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-6H2,1-2H3
2.1.3 InChI Key
DRZCPHGVEATLFR-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 18381-45-8

2. Einecs 242-263-6

3. Dtxsid20171483

4. Dtxcid0093974

5. 242-263-6

6. 3-cyanopropionaldehyde Diethyl Acetal

7. 3-cyano Propionaldehyde Diethyl Acetal

8. Butanenitrile, 4,4-diethoxy-

9. Mfcd00001965

10. 4,4-diethoxybutyronitrile

11. 3-cyanopropanal Diethylacetal

12. 4,4-diethoxybutanenitrile #

13. Schembl562211

14. 3-cyanopropanal Diethyl Acetal

15. Taa38145

16. 3-cyano Propionaldehyde Diethylacetal

17. Akos015916420

18. 183851-45-8

19. Bp-31124

20. Bs-23107

21. Sy281003

22. Propionaldehyde, 3-cyano-, Diethyl Acetal

23. 3-cyanopropionaldehyde Diethyl Acetal, 98%

24. Db-044506

25. Db-315301

26. Ns00026043

27. En300-211950

28. G61893

29. Inchi=1/c8h15no2/c1-3-10-8(11-4-2)6-5-7-9/h8h,3-6h2,1-2h

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 157.21 g/mol
Molecular Formula C8H15NO2
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area42.3
Heavy Atom Count11
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1