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CAS 189956-45-4 manufacturers and suppliers on PharmaCompass

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4CH-023696
Also known as: 189956-45-4, 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile, 4-(4-hydroxypyrimidin-2-ylamino)benzonitrile, 4-[(6-oxo-1h-pyrimidin-2-yl)amino]benzonitrile, Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile
Molecular Formula
C11H8N4O
Molecular Weight
212.21  g/mol
InChI Key
BBNOJNASJQRRSH-UHFFFAOYSA-N

1 2D Structure

4CH-023696

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile
2.1.2 InChI
InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)
2.1.3 InChI Key
BBNOJNASJQRRSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C#N)NC2=NC=CC(=O)N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 189956-45-4

2. 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile

3. 4-(4-hydroxypyrimidin-2-ylamino)benzonitrile

4. 4-[(6-oxo-1h-pyrimidin-2-yl)amino]benzonitrile

5. Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]-

6. 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile

7. 4-[(4-oxo-1,4-dihydropyrimidin-2-yl)amino]benzonitrile

8. 4-((4-hydroxypyrimidin-2-yl)amino)benzonitrile

9. 4-[(4-hydroxy-pyrimidin-2-yl)amino]-benzonitrile

10. Ec 606-195-4

11. Rilpivirine Hydroxy Impurity

12. Schembl384215

13. 4-[(6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile

14. Amy3468

15. Dtxsid40444368

16. Bcp04530

17. Zinc8700471

18. Mfcd17018923

19. Akos015917879

20. Akos015994026

21. He-0007

22. Sb58158

23. Ft-0687617

24. Nhn[2(4-hydroxypyrimidinyl)]aminobenzonitrile

25. F11766

26. 4-[(4-hydroxy-2-pyrimidinyl)amino]-benzonitrile

27. 956n454

28. 4-(4-oxo-1,4-dihydropyrimidin-2-ylamino) Benzonitrile

29. 4-[(1,4-dihydro4-oxo-2-pyrimidinyl)amino]benzonitrile

30. 4-[(6-oxo-1,6-dihydro-2-pyrimidinyl)amino]benzonitrile

31. 4[(1,4-dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile

32. P-(4-oxo-1h-pyrimidin-2-ylamino)benzonitrile; 4-[(4-hydroxy-2-pyrimidinyl)amino]benzonitrile; 4-[(6-oxo-1,6-dihydropyrimidin-2-yl)amino]benzonitrile; 4-[(1,4-dihydro-4-oxo-2-pyrimidinyl) Amino] Benzonitrile

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 212.21 g/mol
Molecular Formula C11H8N4O
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass212.06981089 g/mol
Monoisotopic Mass212.06981089 g/mol
Topological Polar Surface Area77.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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