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CAS 7318-00-5 manufacturers and suppliers on PharmaCompass

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CAS 7318-00-5
Also known as: 626-34-6, (z)-ethyl 3-aminobut-2-enoate, 7318-00-5, Ethyl (z)-3-aminobut-2-enoate, Ethyl 3-aminobut-2-enoate, 3-amino-2-butenoic acid ethyl ester
Molecular Formula
C6H11NO2
Molecular Weight
129.16  g/mol
InChI Key
YPMPTULBFPFSEQ-PLNGDYQASA-N

1 2D Structure

CAS 7318-00-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (Z)-3-aminobut-2-enoate
2.1.2 InChI
InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4-
2.1.3 InChI Key
YPMPTULBFPFSEQ-PLNGDYQASA-N
2.1.4 Canonical SMILES
CCOC(=O)C=C(C)N
2.1.5 Isomeric SMILES
CCOC(=O)/C=C(/C)\N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 626-34-6

2. (z)-ethyl 3-aminobut-2-enoate

3. 7318-00-5

4. Ethyl (z)-3-aminobut-2-enoate

5. Ethyl 3-aminobut-2-enoate

6. 3-amino-2-butenoic Acid Ethyl Ester

7. 2-butenoic Acid, 3-amino-, Ethyl Ester, (2z)-

8. 3-aminocrotonic Acid Ethyl Ester

9. Ethyl (2z)-3-aminobut-2-enoate

10. Ethyl 3-amino-2-butenoate

11. Mfcd02730138

12. Ethyl3-aminocrotonate

13. .beta.-aminocrotonic Acid Ethyl Ester

14. 2-butenoic Acid, 3-amino-, Ethyl Ester

15. Ethyl .beta.-aminocrotonate

16. 3-amino-2-butenoic Acid Ethyl

17. Mfcd00008073

18. Ethyl-3-amino Crotonate

19. Ethyl Beta-aminocrotonate

20. Schembl124630

21. Ethyl 3-aminocrotonate, 98%

22. Ethyl(z)-3-aminobut-2-enoate

23. Nsc1086

24. Beta-aminocrotonic Acid Ethyl Ester

25. Ethyl (2z)-3-amino-2-butenoate

26. Bcp12251

27. Nsc-1086

28. Ab1419

29. Stk397892

30. Akos005068265

31. Zinc100014595

32. (z)-3-amino-but-2-enoic Acid Ethyl Ester

33. Db-029744

34. Cs-0031464

35. A833899

36. J-511532

37. 2-butenoic Acid,3-amino,ethyl Ester,(trans)

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 129.16 g/mol
Molecular Formula C6H11NO2
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass129.078978594 g/mol
Monoisotopic Mass129.078978594 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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