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CAS 253168-94-4
Also known as: 253168-94-4, 3-ethoxy-4-methoxy-alpha-[(methylsulfonyl)methyl]-benzenemethanamine, 2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine, 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine, 1-(3-ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine, 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine
Molecular Formula
C12H19NO4S
Molecular Weight
273.35  g/mol
InChI Key
BXUJVINGXQGNFD-UHFFFAOYSA-N

1 2D Structure

CAS 253168-94-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
2.1.2 InChI
InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3
2.1.3 InChI Key
BXUJVINGXQGNFD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 253168-94-4

2. 3-ethoxy-4-methoxy-alpha-[(methylsulfonyl)methyl]-benzenemethanamine

3. 2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamine

4. 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine

5. 1-(3-ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine

6. 1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine

7. 1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-amine

8. (r)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine

9. Mfcd22677268

10. Apremilast Intermediate

11. Schembl302947

12. Amy38842

13. Bcp10011

14. Bcp28135

15. Cs-m2886

16. Benzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-

17. Mfcd27665207

18. Akos024255715

19. Fk-0724

20. Pb43142

21. Ac-30407

22. Da-31197

23. Sy109091

24. Sy113286

25. E1381

26. Ft-0737867

27. A854788

28. 1-(3-ethoxy-4-methoxyphenyl)-methylsulfonylethylamine

29. 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethylamine

30. 1-(3-ethoxy-4-methoxyphenyl) -2-methylsulfonylethylamine

31. 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl Amine

32. 3-ethoxy-4-methoxy-?-[(methylsulfonyl)methyl]benzenemethanamine

33. 2-(3-ethoxy-4-methoxyphenyl)-1-(methanesulfonyl)-eth-2-ylamine

34. 2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulphonyl)-eth-2-ylamine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 273.35 g/mol
Molecular Formula C12H19NO4S
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass273.10347926 g/mol
Monoisotopic Mass273.10347926 g/mol
Topological Polar Surface Area87 Ų
Heavy Atom Count18
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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