917-92-0

Chemistry, 1 End Use API, 6 Related Intermediates

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Also known as: 917-92-0, 3,3-dimethylbut-1-yne, Tert-butylacetylene, 3,3-dimethylbutyne, T-butylacetylene, 1-butyne, 3,3-dimethyl-

Molecular Formula

C₆H₁₀

Molecular Weight

82.14 g/mol

InChI Key

PPWNCLVNXGCGAF-UHFFFAOYSA-N

FDA UNII

PX4NL23U52

1 2D Structure

917-92-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,3-dimethylbut-1-yne

2.1.2 InChI

InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3

2.1.3 InChI Key

PPWNCLVNXGCGAF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C#C

2.2 Other Identifiers

2.2.1 UNII

PX4NL23U52

2.3 Synonyms

2.3.1 MeSH Synonyms

1. T-butyl Acetylene

2.3.2 Depositor-Supplied Synonyms

1. 917-92-0

2. 3,3-dimethylbut-1-yne

3. Tert-butylacetylene

4. 3,3-dimethylbutyne

5. T-butylacetylene

6. 1-butyne, 3,3-dimethyl-

7. T-butyl Acetylene

8. 3,3,3-trimethylpropyne

9. Mfcd00008852

10. Px4nl23u52

11. Chembl1908221

12. Einecs 213-035-3

13. Ec 213-035-3

14. 51730-68-8

15. 1-butyne,3,3-dimethyl-

16. 3,3-dimethylbutyne-1

17. Tertbutylacetylene

18. Tert-butylacetyiene

19. Tert-butylacetylide

20. Tert-butyl Acetylene

21. 33-dimethyl-1-butyne

22. 3.3-dimethyl-1-butyne

23. 3,3-dimethyl-but-l-yne

24. 2,2-dimethyl-but-3-yne

25. 3,3-dimethyl- 1-butyne

26. 3,3-dimethyl-but-1-yne

27. 3, 3-dimethyl-but-1-yne

28. Unii-px4nl23u52

29. (ch3)3cc.$.ch

30. Dtxsid70238671

31. 3,3-dimethyl-1-butyne, 98%

32. Bdbm50027798

33. Akos015841094

34. B1114

35. Ft-0601139

36. En300-83192

37. F15435

38. A844068

39. J-511081

40. Inchi=1/c6h10/c1-5-6(2,3)4/h1h,2-4h

41. F0001-2465

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₀
Molecular Weight	82.14 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	6
Formal Charge	0
Complexity	73.9
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

917-92-0

Intermediate Name

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.