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CAS 120511-72-0

Chemistry, 3 End Use API, 8 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-cyanoprop-2-yl )benzyl

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CAS Number

120511-84-4

End Use API

Anastrozole

About the Company

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. ...

Innovassynth Technologies (I) Ltd. formerly known as Chemicals Division of Indian Organic Chemicals Ltd. came in to existence since 1st August 2002. It is a part of the well-known business group involved in activities like polyester fiber, polymers, pre-forms, and computer software among others. The company is catering to the needs of customers in the area of 'knowledge based R & D services' for the last 5 years, which include: Contract R & D, Custom Synthesis and Contract Manufacture In a very short period the company has established its name as a reliable partner in above area of activities and has joined hands with many prestigious companies in the field. The company has identified NUCLEOSIDES as a niche area and earned reputation as a supplier of various protected Nucleosides and a partner for Process research. The company is involved in business with well-known companies in various fields like pharmaceuticals, perfumes, agro chemicals, and fine and specialty chemicals. With two sites at its disposal, one already active at Khopoli near Mumbai and the other in the development stage at Chennai. It has already set up a cGMP Pilot Plant Facility where 10-15 Kg batch size is possible. It is going for US FDA approval in near future.

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