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CAS 94749-73-2 manufacturers and suppliers on PharmaCompass

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CAS 94749-73-2
Also known as: 94749-73-2, 4-(6-bromohexoxy)butylbenzene, (4-((6-bromohexyl)oxy)butyl)benzene, (4-(6-bromohexyloxy)butyl)benzene, [4-[(6-bromohexyl)oxy]butyl]benzene, {4-[(6-bromohexyl)oxy]butyl}benzene
Molecular Formula
C16H25BrO
Molecular Weight
313.27  g/mol
InChI Key
HYRIAERKUPZOCS-UHFFFAOYSA-N

1 2D Structure

CAS 94749-73-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(6-bromohexoxy)butylbenzene
2.1.2 InChI
InChI=1S/C16H25BrO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15H2
2.1.3 InChI Key
HYRIAERKUPZOCS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCCCOCCCCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 94749-73-2

2. 4-(6-bromohexoxy)butylbenzene

3. (4-((6-bromohexyl)oxy)butyl)benzene

4. (4-(6-bromohexyloxy)butyl)benzene

5. [4-[(6-bromohexyl)oxy]butyl]benzene

6. {4-[(6-bromohexyl)oxy]butyl}benzene

7. Schembl454150

8. 4-(6-bromohexyloxy)butylbenzene

9. Amy7538

10. Dtxsid50451902

11. 4-(6-bromohexyloxy)-butylbenzene

12. 6-(4-phenylbutoxy)-hexyl-bromide

13. 4-[(6-bromohexyl)oxy]butylbenzene

14. 6-(4-phenyl-butoxy)-hexyl Bromide

15. Zinc2569980

16. (6-bromohexyl)(4-phenylbutyl) Ether

17. 1-(4-(6-bromohexyloxy)butyl)benzene

18. [4-[(6-bromohexyl)oxyl]butyl]benzene

19. Ab92080

20. [4-(6-bromo-hexyloxy)-butyl]-benzene

21. 1-bromo-6-(4-phenylbut-1-yloxy)hexane

22. Cs-0458176

23. Ft-0729971

24. E88175

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 313.27 g/mol
Molecular Formula C16H25BrO
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area9.2
Heavy Atom Count18
Formal Charge0
Complexity167
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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Vamsi Labs, established in 1991, is a leading Indian API manufacturer. Specializing in anti-asthmatic, an...
Vamsi Labs, established in 1991, is a leading Indian API manufacturer. Specializing in anti-asthmatic, anti-migraine & anti-psychotic APIs, it caters to domestic & international markets(50% sales). Anti-asthma products account for 60% of sales. Vamsi adheres to high corporate governance, transparency, professionalism, & environmental protection standards. It's USFDA approved & ISO 9001:2015, ISO 14001:2015, & ISO 45001:2018 certified. With a DSIR-certified R&D Lab, Vamsi continues to innovate & meet the pharma industry's evolving needs. Vamsi is poised to grow its globally while maintaining its commitment to excellence and sustainability.
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Vamsi Labs, established in 1991, is a leading Indian API manufacturer. Specializing in anti-asthmatic, an...
Vamsi Labs, established in 1991, is a leading Indian API manufacturer. Specializing in anti-asthmatic, anti-migraine & anti-psychotic APIs, it caters to domestic & international markets(50% sales). Anti-asthma products account for 60% of sales. Vamsi adheres to high corporate governance, transparency, professionalism, & environmental protection standards. It's USFDA approved & ISO 9001:2015, ISO 14001:2015, & ISO 45001:2018 certified. With a DSIR-certified R&D Lab, Vamsi continues to innovate & meet the pharma industry's evolving needs. Vamsi is poised to grow its globally while maintaining its commitment to excellence and sustainability.
Vamsi Labs

CRS 2024

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