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Also known as: 65916-86-1, Polyurethane y-290, Texin 192a, Texin 519a, Tpu 2t, Hexanedioic acid, polymer with 1,4-butanediol, 1,2-ethanediol and 1,1'-methylenebis(isocyanatobenzene)

Molecular Formula

C₂₇H₃₆N₂O₁₀

Molecular Weight

548.6 g/mol

InChI Key

JQMXDQWOHHBPHB-UHFFFAOYSA-N

1 2D Structure

Polyurethane Y-290

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butane-1,4-diol;ethane-1,2-diol;hexanedioic acid;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

2.1.2 InChI

InChI=1S/C15H10N2O2.C6H10O4.C4H10O2.C2H6O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6;3-1-2-4/h1-8H,9H2;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2;3-4H,1-2H2

2.1.3 InChI Key

JQMXDQWOHHBPHB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 65916-86-1

2. Polyurethane Y-290

3. Texin 192a

4. Texin 519a

5. Tpu 2t

6. Hexanedioic Acid, Polymer With 1,4-butanediol, 1,2-ethanediol And 1,1'-methylenebis(isocyanatobenzene)

7. Hexanedioic Acid, Polymer With 1,4-butanediol, 1,2-ethanediol And 1,1'-methylenebis[isocyanatobenzene]

8. Pu 7

9. Pu 8

10. Ppe 201

11. Y 290

12. Adipic Acid, Ethylene Glycol, 1,4-butanediol, P,p'-diphenylmethane Diisocyanate Polymer

13. Adipic Acid, Polymer With 1,4-butanediol, Ethylene Glycol And Methylenedi-p-phenyleneisocyanate

14. Bis(4-isocyanatophenyl)methane, Polymer With Adipic Acid, 1,4-butanediol, And Ethylene Glycol

15. Diphenylmethane, 4,4'-diisocyanate, Adipic Acid, 1,4-butanediol, Ethylene Glycol Polymer

16. Diphenylmethane-4,4'-diisocyanate, Adipic Acid, 1,4-butanediol, Ethylene Glycol Polymer

17. Diphenylmethane-4,4'-diisocyanate, Adipic Acid, Ethylene Glycol, 1,4-butanediol Polymer

18. Ethylene Glycol, Adipic Acid, 1,4-butanediol, 4,4'-methylenediphenylene Isocyanate Polymer

19. Methylenebis(4-phenylisocyanate), Adipic Acid, Ethylene Glycol, 1,4-butylene Glycol Polymer

20. E6

21. Poly(ethylene-tetramethylene Adipate) Glycol, Polyurethane With Methylenedi-p-phenylene Isocyanate

22. Diphenylmethane-4,4'-diisocyanate, Ethylene Glycol, 1,4-butanediol, Adipic Acid Polymer

23. Methylenediphenyldiisocyanate, Adipic Acid, 1,4-butanediol, Ethylene Glycol Polymer

24. Poly(butylene Ethylene Adipate), 1,4-butanediol, Methylenebis(phenyl Isocyanate) Copolymer

25. 27083-55-2

26. Hexanedioic Acid, Polymer With 1,4-butanediol, 1,2-ethanediol And 1,1'-methylenebis(4-isocyanatobenzene), Block

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₆N₂O₁₀
Molecular Weight	548.6 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	13
Exact Mass	548.23699535 g/mol
Monoisotopic Mass	548.23699535 g/mol
Topological Polar Surface Area	214 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	469
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	4