CAS 63132-85-4

Chemistry, 5 End Use API, 96 Related Intermediates

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Also known as: 63132-85-4, 3-chloropropane-1-sulfonic acid tert-butylamide, 3-chloro-propane-1-sulfonic acid tert-butylamide, N-(tert-butyl)-3-chloropropane-1-sulfonamide, 3-chloropropane-1-sulfonicacidtert-butylamide, Schembl635978

Molecular Formula

C₇H₁₆ClNO₂S

Molecular Weight

213.73 g/mol

InChI Key

SPGDRXRIVPMUCK-UHFFFAOYSA-N

1 2D Structure

CAS 63132-85-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-tert-butyl-3-chloropropane-1-sulfonamide

2.1.2 InChI

InChI=1S/C7H16ClNO2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6H2,1-3H3

2.1.3 InChI Key

SPGDRXRIVPMUCK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)NS(=O)(=O)CCCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 63132-85-4

2. 3-chloropropane-1-sulfonic Acid Tert-butylamide

3. 3-chloro-propane-1-sulfonic Acid Tert-butylamide

4. N-(tert-butyl)-3-chloropropane-1-sulfonamide

5. 3-chloropropane-1-sulfonicacidtert-butylamide

6. Schembl635978

7. Dtxsid10470811

8. 3-chloro-n-(1,1-dimethylethyl)-1-propanesulfonamide

9. Bcp20114

10. Mfcd11707045

11. Zinc36881341

12. Akos009845360

13. Sb79397

14. Ac-30860

15. Am804162

16. As-69404

17. N-tert-butyl-(3-chloro)propylsulfonamide

18. N-tert-butyl-(3-chloro) Propylsulfonamide

19. Db-009243

20. Cs-0171698

21. Ft-0630011

22. 132b854

23. A834228

24. 1-propanesulfonamide, 3-chloro-n-(1,1-dimethylethyl)-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClNO₂S
Molecular Weight	213.73 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	213.0590276 g/mol
Monoisotopic Mass	213.0590276 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	213
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

63132-85-4

Intermediate Name

N-(tert-butyl)-3-chloropropane-1-su...

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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