1143516-05-5

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 7 Related Intermediates

2 Suppliers
2 End Use APIs
7 Related Intermediates

Chemistry

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Also known as: Aeea-aeea, 1143516-05-5, 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid, 8-amino-3,6-dioxaoctanoic acid dimer, H-adoa-adoa-oh, Mfcd13184942

Molecular Formula

C₁₂H₂₄N₂O₇

Molecular Weight

308.33 g/mol

InChI Key

YQZVQKYXWPIKIX-UHFFFAOYSA-N

1 2D Structure

1143516-05-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

2.1.2 InChI

InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

2.1.3 InChI Key

YQZVQKYXWPIKIX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(COCCOCC(=O)NCCOCCOCC(=O)O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Aeea-aeea

2. 1143516-05-5

3. 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic Acid

4. 8-amino-3,6-dioxaoctanoic Acid Dimer

5. H-adoa-adoa-oh

6. Mfcd13184942

7. Schembl1257485

8. Amy3342

9. Yqzvqkyxwpikix-uhfffaoysa-n

10. Dtxsid301191445

11. Ex-a5417

12. H2n-peg2-nh-peg2-ch2cooh

13. Zb0899

14. Akos030213455

15. Hy-w125504

16. Ac-32527

17. Sy251169

18. Ws-03066

19. Cs-0183820

20. P50020

21. 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic Acid

22. 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oicacid

23. [2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetyl- Amino}ethoxy)ethoxy]acetic Acid

24. [2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetyl-amino}ethoxy)ethoxy]acetic Acid

25. [2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetylamino}ethoxy)ethoxy]acetic Acid

26. [2-(2-{2-[2-(2-aminoethoxyl)ethoxy]acetylamino}ethoxy)ethoxy]acetic Acid

27. 2-[2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}ethoxy)ethoxy]acetic Acid

28. [2-(2-{2-[2-(2-amino-ethoxy)-ethoxy]-acetylamino}-ethoxy)-ethoxy]-acetic Acid

2.3 Create Date

2011-05-03

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₄N₂O₇
Molecular Weight	308.33 g/mol
XLogP3	-4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	129
Heavy Atom Count	21
Formal Charge	0
Complexity	276
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