Indian Tex Dyes Industries

4CH-018368

Chemistry, 5 End Use API, 91 Related Intermediates

Manufacturers/Suppliers

6 Suppliers

6 Suppliers

Also known as: 865758-96-9, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]benzonitrile, 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile, Alogliptin impurity 09, 2-((6-chloro-3,4-dihydro-3-methyl-2,4-dioxopyrimidin-1(2h)-yl)methyl)benzonitrile, 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h) -yl)methyl)benzonitrile

Molecular Formula

C₁₃H₁₀ClN₃O₂

Molecular Weight

275.69 g/mol

InChI Key

BVUJISIVAHYNLI-UHFFFAOYSA-N

1 2D Structure

4CH-018368

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

2.1.2 InChI

InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3

2.1.3 InChI Key

BVUJISIVAHYNLI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 865758-96-9

2. 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]benzonitrile

3. 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

4. Alogliptin Impurity 09

5. 2-((6-chloro-3,4-dihydro-3-methyl-2,4-dioxopyrimidin-1(2h)-yl)methyl)benzonitrile

6. 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h) -yl)methyl)benzonitrile

7. 2-((6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl)benzonitrile

8. Schembl389683

9. Alogliptin Related Compound 28

10. Dtxsid10463107

11. Bcp08889

12. Cs-m2296

13. Mfcd11558902

14. Zinc40433892

15. Akos015999478

16. Ab64299

17. Benzonitrile,2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-

18. Ac-25788

19. As-19917

20. Db-076686

21. Am20090701

22. Ft-0664651

23. F20414

24. A852271

25. 2-(6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-ylmethyl)-benzonitrile

26. 2-[6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidine-1(2h)-ylmethyl]benzonitrile

27. Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀ClN₃O₂
Molecular Weight	275.69 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	275.0461543 g/mol
Monoisotopic Mass	275.0461543 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	480
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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CAS Number

668273-75-4

End Use API

Linagliptin

About the Company

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.

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