Luna Chemicals

CAS 106261-64-7

Chemistry, 1 End Use API, 36 Related Intermediates

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Also known as: 106261-64-7, 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride, 4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;dihydrochloride, 4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride dihydrochloride, Mfcd11519983, 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride 2hcl

Molecular Formula

C₁₃H₁₉Cl₃N₂O

Molecular Weight

325.7 g/mol

InChI Key

DDKLQZDSVJKYLJ-UHFFFAOYSA-N

1 2D Structure

CAS 106261-64-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(4-methylpiperazin-1-yl)methyl]benzoyl chloride;dihydrochloride

2.1.2 InChI

InChI=1S/C13H17ClN2O.2ClH/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(14)17;;/h2-5H,6-10H2,1H3;2*1H

2.1.3 InChI Key

DDKLQZDSVJKYLJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)Cl.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 106261-64-7

2. 4-((4-methylpiperazin-1-yl)methyl)benzoyl Chloride Dihydrochloride

3. 4-[(4-methylpiperazin-1-yl)methyl]benzoyl Chloride;dihydrochloride

4. 4-[(4-methylpiperazin-1-yl)methyl]benzoyl Chloride Dihydrochloride

5. Mfcd11519983

6. 4-((4-methylpiperazin-1-yl)methyl)benzoyl Chloride 2hcl

7. Benzoyl Chloride, 4-[(4-methyl-1-piperazinyl)methyl]-, Dihydrochloride

8. 4-(4-methylpiperazin-1-ylmethyl)benzoyl Chloride Dihydrochloride

9. 4-[(4-methyl-1-piperazinyl)methyl]benzoyl Chloride Dihydrochloride

10. Schembl529195

11. Dtxsid10603844

12. Amy22082

13. 4-[(4-methylpiperazin-1-yl)methyl]benzoyl Chloride,dihydrochloride

14. 4-[(4-methylpiperazin-1-yl)methyl]benzoyl Chloride--hydrogen Chloride (1/2)

15. Akos015909677

16. Ac-23930

17. As-39950

18. Sy245383

19. Ft-0658811

20. 261m647

21. A801429

22. A851421

23. A1-03413

24. 4-(4-methylpiperazinylmethyl)benzoyl Chloride 2hcl

25. 4-(4-methylpiperazinylmethyl)benzoyl-chloride Dihydrochloride

26. 4-(4-methylpiperzin-1-ylmethyl)benzoyl Chloride Dihydrochloride

27. 4-(4-methylpiperazin-1-yl-methyl)benzoyl Chloride Dihydrochloride

28. 4-[(4-methyl-1-piperazinyl)methyl]benzoyl Chloride, Dihydrochloride

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₉Cl₃N₂O
Molecular Weight	325.7 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	324.056296 g/mol
Monoisotopic Mass	324.056296 g/mol
Topological Polar Surface Area	23.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	256
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	3

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CAS Number

106261-49-8

End Use API

Imatinib Mesylate

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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