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Also known as: 75885-58-4, (s)-(+)-2,2-dimethylcyclopropanecarboxamide, (s)-(+)-2,2-dimethylcyclopropane carboxamide, (1s)-2,2-dimethylcyclopropane-1-carboxamide, (s)-(+)-2,2,-dimethylcyclopropane carboxamide, (s)-(r)-(+)-2,2-dimethyl cyclopropane carboxamide
Molecular Formula
C6H11NO
Molecular Weight
113.16  g/mol
InChI Key
YBZQRYWKYBZZNT-SCSAIBSYSA-N

CAS 75885-58-4
1 2D Structure

CAS 75885-58-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-2,2-dimethylcyclopropane-1-carboxamide
2.1.2 InChI
InChI=1S/C6H11NO/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H2,7,8)/t4-/m1/s1
2.1.3 InChI Key
YBZQRYWKYBZZNT-SCSAIBSYSA-N
2.1.4 Canonical SMILES
CC1(CC1C(=O)N)C
2.1.5 Isomeric SMILES
CC1(C[C@@H]1C(=O)N)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 75885-58-4

2. (s)-(+)-2,2-dimethylcyclopropanecarboxamide

3. (s)-(+)-2,2-dimethylcyclopropane Carboxamide

4. (1s)-2,2-dimethylcyclopropane-1-carboxamide

5. (s)-(+)-2,2,-dimethylcyclopropane Carboxamide

6. (s)-(r)-(+)-2,2-dimethyl Cyclopropane Carboxamide

7. (1s)-2,2-dimethylcyclopropanecarboxamide

8. (s)-(+)-2,2-dimethylcyclo-propane Carboxamide

9. Cyclopropanecarboxamide, 2,2-dimethyl-, (1s)-

10. (s)-2,2-dimethylcyclopropane-1-carboxamide

11. (s)-2,2-dimethyl-cyclopropanecarboxylic Acid Amide

12. Mfcd00216614

13. Einecs 278-334-3

14. Schembl238946

15. Zinc158275

16. Akos006238138

17. Akos015842157

18. Cs-w013652

19. (1s)-2,2-dimethylcyclopropancarboxamide

20. (s)-2,2-dimethyl Cyclopropanecarboxamid

21. (s)-2,2-dimethylcyclopropane Carboxamide

22. Ts-01574

23. (1s)-2,2-dimethylcyclo-propanecarboxamide

24. (s) 2,2-dimethyl Cyclopropane Carboxamide

25. A9635

26. D3676

27. S-(+)-2,2-dimethyl Cyclopropane Carboxamide

28. (

29. S

30. )-(+)-22-dimethylcyclopropanecarboxamide

31. S-(+)-2,2-dimethylcyclopropane-1-carboxamide

32. (s)-(+)-2,2-dimethyl Cyclopropane Carboxamide

33. 885d584

34. (s)-(+)-2,2-dimethylcyclopropanecarboxamide, 98%

35. W-104385

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 113.16 g/mol
Molecular Formula C6H11NO
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass113.084063974 g/mol
Monoisotopic Mass113.084063974 g/mol
Topological Polar Surface Area43.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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