CAS 18381-45-8

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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

CAS 18381-45-8

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 Formula	C₈H₁₅NO₂
Molecular Weight	157.21 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	42.3
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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