3,6,9,12-Tetraoxatridecylamine

Synopsis, Chemistry

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Also known as: 85030-56-4, M-peg4-amine, 2,5,8,11-tetraoxatridecan-13-amine, Mpeg4-nh2, 3,6,9,12-tetraoxatridecanamine, Methyl-peg4-amine

Molecular Formula

C₉H₂₁NO₄

Molecular Weight

207.27 g/mol

InChI Key

DQTQYVYXIOQYGN-UHFFFAOYSA-N

1 2D Structure

3,6,9,12-Tetraoxatridecylamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine

2.1.2 InChI

InChI=1S/C9H21NO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-10H2,1H3

2.1.3 InChI Key

DQTQYVYXIOQYGN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCOCCOCCOCCN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85030-56-4

2. M-peg4-amine

3. 2,5,8,11-tetraoxatridecan-13-amine

4. Mpeg4-nh2

5. 3,6,9,12-tetraoxatridecanamine

6. Methyl-peg4-amine

7. Mpeg4-amine

8. 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine

9. Meo-peg4-nh2

10. Mfcd11041099

11. 2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethanamine

12. Einecs 285-182-1

13. M-dpeg(r)4-amine

14. Meo-dpeg(4)-nh2

15. Schembl863056

16. Dtxsid90234099

17. Bcp11315

18. Zinc33358855

19. Akos015919215

20. Cs-w020954

21. Gs-6329

22. Hy-w040214

23. Sb78300

24. Bp-21110

25. Sy056493

26. Ft-0658733

27. M2501

28. H10154

29. A841058

30. 2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethylamine

31. 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine;3,6,9,12-tetraoxatridecanamine

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₁NO₄
Molecular Weight	207.27 g/mol
XLogP3	-1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	207.14705815 g/mol
Monoisotopic Mass	207.14705815 g/mol
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	103
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