Ethyl trans-3-dimethylaminoacrylate

Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 6 Related Intermediates

2 Suppliers
2 End Use APIs
6 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 924-99-2, 1117-37-9, Ethyl 3-(n,n-dimethylamino)acrylate, (e)-ethyl 3-(dimethylamino)acrylate, Ethyl 3-(dimethylamino)acrylate, Ethyl (e)-3-(dimethylamino)prop-2-enoate

Molecular Formula

C₇H₁₃NO₂

Molecular Weight

143.18 g/mol

InChI Key

MVUMJYQUKKUOHO-AATRIKPKSA-N

1 2D Structure

CAS 924-99-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (E)-3-(dimethylamino)prop-2-enoate

2.1.2 InChI

InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+

2.1.3 InChI Key

MVUMJYQUKKUOHO-AATRIKPKSA-N

2.1.4 Canonical SMILES

CCOC(=O)C=CN(C)C

2.1.5 Isomeric SMILES

CCOC(=O)/C=C/N(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 924-99-2

2. 1117-37-9

3. Ethyl 3-(n,n-dimethylamino)acrylate

4. (e)-ethyl 3-(dimethylamino)acrylate

5. Ethyl 3-(dimethylamino)acrylate

6. Ethyl (e)-3-(dimethylamino)prop-2-enoate

7. Ethyl Trans-3-(n,n-dimethylamino)acrylate

8. Ethyl (2e)-3-(dimethylamino)prop-2-enoate

9. 2-propenoic Acid, 3-(dimethylamino)-, Ethyl Ester, (2e)-

10. Ethyl3-(dimethylamino)acrylate

11. 3-(dimethylamino)acrylic Acid Ethyl Ester

12. Ethyl (e)-3-(dimethylamino)acrylate

13. Mfcd00144269

14. 2-propenoic Acid, 3-(dimethylamino)-, Ethyl Ester

15. Ethyl 3-(dimethylamino)propenoate

16. Acrylic Acid, 3-(dimethylamino)-, Ethyl Ester, (e)-

17. Ec 402-650-4

18. Schembl286112

19. Schembl286141

20. Dtxsid101009957

21. Zinc1699053

22. (e)-ethyl-3-(dimethylamino)acrylate

23. Am1222

24. Ethyl=3-(n,n-dimethylamino)acrylate

25. Akos015843339

26. Akos025149149

27. 3-dimethylaminoacrylic Acid Ethyl Ester

28. Cs-w008982

29. As-17425

30. Ethyl(2e)-3-(dimethylamino)prop-2-enoate

31. (2e)-ethyl 3-(n,n-dimethylamino)acrylate

32. D2836

33. (e)-3-(dimethylamino)acrylic Acid Ethyl Ester

34. Ethyl (2e)-3-(dimethylamino)-2-propenoate #

35. F20318

36. (e)-3-(dimethylamino)-acrylic Acid Ethyl Ester

37. Ethyl 3-(n,n-dimethylamino)acrylate, Aldrichcpr

38. A844254

39. Q-201082

40. 2-propenoic Acid,3-(dimethylamino)-,ethyl Ester,(2e)-

41. Ethyl (e)-3-(dimethylamino)prop-2-enoate;ethyl 3-(dimethylamino)acrylate

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₃NO₂
Molecular Weight	143.18 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	143.094628657 g/mol
Monoisotopic Mass	143.094628657 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1