CAS 5447-86-9

Chemistry, 1 End Use API

Chemistry
1 End Use API

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 5447-86-9, 10,10-dimethylanthrone, 10,10-dimethylanthracen-9-one, 10,10-dimethylanthracen-9(10h)-one, 9(10h)-anthracenone, 10,10-dimethyl-, Mls002638559

Molecular Formula

C₁₆H₁₄O

Molecular Weight

222.28 g/mol

InChI Key

GWFCYDIAPRIMLA-UHFFFAOYSA-N

FDA UNII

E3A9WP7V4R

1 2D Structure

CAS 5447-86-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

10,10-dimethylanthracen-9-one

2.1.2 InChI

InChI=1S/C16H14O/c1-16(2)13-9-5-3-7-11(13)15(17)12-8-4-6-10-14(12)16/h3-10H,1-2H3

2.1.3 InChI Key

GWFCYDIAPRIMLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)C

2.2 Other Identifiers

2.2.1 UNII

E3A9WP7V4R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 10,10-dimethylanthrone

2.3.2 Depositor-Supplied Synonyms

1. 5447-86-9

2. 10,10-dimethylanthrone

3. 10,10-dimethylanthracen-9-one

4. 10,10-dimethylanthracen-9(10h)-one

5. 9(10h)-anthracenone, 10,10-dimethyl-

6. Mls002638559

7. 10,10-dimethyl-10h-anthracen-9-one

8. E3a9wp7v4r

9. Nsc-17539

10. Smr001548032

11. 10,10-dimethyl-9(10h)-anthracenone

12. Nsc17539

13. Einecs 226-666-4

14. Unii-e3a9wp7v4r

15. Cid_79529

16. 10,10-dimethyl-9-anthrone

17. Schembl1855552

18. 10,10-dimethylanthrone-[d6]

19. Chembl1871596

20. 10,10-dimethyl-9-anthracenone

21. Bdbm93912

22. Dtxsid90202874

23. Hms3095e12

24. Amy32506

25. Bcp20577

26. Zinc1038974

27. Mfcd00204395

28. Nsc 17539

29. Stk398384

30. Akos005454004

31. Ac-2139

32. 10,10-dimethyl Anthracen-9(10h)-one

33. 112gi001

34. As-15903

35. 4-cyanophenyl-4-trans-ethylcyclohexylbenzoate

36. Cs-0022215

37. D5841

38. Ft-0651629

39. 447d869

40. J-504139

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄O
Molecular Weight	222.28 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	222.104465066 g/mol
Monoisotopic Mass	222.104465066 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	290
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

5447-86-9

Intermediate Name

Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadersh...

Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadership position in several APIs such as antihistamines, antidepressants and muscle relaxants. Acquired by private equity groups in 2016, it is one of India’s leading manufacturers of psychotropic substances. It supplies over 60 APIs to customers in more than 62 countries from FDA and EU-approved locations. R L Fine Chem is a technology-driven company with a focus on the in-house manufacture of key intermediates for our APIs. The company currently operates out of four facilities in the Indian states of Karnataka and Andhra Pradesh.

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