Luna Chemicals

CAS 120511-72-0

Chemistry, 4 End Use API, 9 Related Intermediates

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1 Intermediates

1 Intermediates

Also known as: 120511-72-0, 3,5-bis(2-cyanoprop-2-yl)toluene, 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile, 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropanenitrile), Anastrozole 5-methyl analog, 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropionitrile)

Molecular Formula

C₁₅H₁₈N₂

Molecular Weight

226.32 g/mol

InChI Key

SJECEXNMZXMXNE-UHFFFAOYSA-N

FDA UNII

3E89N64V9Z

1 2D Structure

CAS 120511-72-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile

2.1.2 InChI

InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3

2.1.3 InChI Key

SJECEXNMZXMXNE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1)C(C)(C)C#N)C(C)(C)C#N

2.2 Other Identifiers

2.2.1 UNII

3E89N64V9Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 120511-72-0

2. 3,5-bis(2-cyanoprop-2-yl)toluene

3. 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile

4. 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropanenitrile)

5. Anastrozole 5-methyl Analog

6. 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropionitrile)

7. 3e89n64v9z

8. 2,2'-(5-methyl-1,3-phenylene)-di-(2-methylpropionitrile)

9. Anastrozole Related Compound A [usp-rs]

10. 2,2'-(5-methylbenzene-1,3-diyl)bis(2-methylpropanenitrile)

11. 2,2,2'2'-(5-methyl-1,3-phenylene)-dimethyl-propionitrile

12. Alpha,alpha,alpha',alpha'-tetramethyl-5-methyl-1,3-benzenediacetonitrile

13. Anastrozole Related Compound A

14. Anastrozole Impurity I

15. Anastrozole Impurity H [ep]

16. Unii-3e89n64v9z

17. Schembl1172829

18. Amy3798

19. Dtxsid40581005

20. Alpha,alpha,alpha',alpha',5-pentamethyl-1,3 Benzenediacetonitrile

21. Anastrozole 5-methyl Analog [usp]

22. Bcp21467

23. Cs-b0753

24. Bbl101236

25. Mfcd08062446

26. Stl555032

27. Zinc21985858

28. Anastrozole Related Compound A [usp]

29. Akos005257888

30. Ac-6803

31. 3,5-bis(1-cyano-1-methylethyl)toluene

32. As-13156

33. Db-011110

34. Anastrozole Impurity H [ep Impurity]

35. Ft-0642939

36. 11m720

37. F12199

38. A804525

39. Anastrozole 5-methyl Analog [usp Impurity]

40. Q-100986

41. Anastrozole Related Compound A [usp Impurity]

42. 2,2'-(5-methyl-1,3-phenylene)di(2-methylpropiononitrile)

43. 1,3-benzenediacetonitrile, Alpha1,alpha1,alpha3,alpha3,5-pentamethyl-

44. 1,3-benzenediacetonitrile, .alpha.1,.alpha.1,.alpha.3,.alpha.3,5-pentamethyl-

45. Alpha , Alpha , Alpha , Alpha -tetramethyl-5-methyl-1,3-benzenediacetonitrile

2.4 Create Date

2007-04-02

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈N₂
Molecular Weight	226.32 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	226.146998583 g/mol
Monoisotopic Mass	226.146998583 g/mol
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	338
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

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3,5-Bis-(2-cyanoisopropyl) toluene

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CAS Number

1210-35-1

End Use API

Anastrozole

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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