CAS 69559-11-1

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Also known as: 69559-11-1, 2-(4-aminopentyl(ethyl)amino)ethanol, 2-[(4-aminopentyl)(ethyl)amino]ethanol, 5-(n-ethyl-n-2-hydroxyethylamino)-2-penthlamine, 2-[4-aminopentyl(ethyl)amino]ethanol, 5-(n-ethyl-n-2-hydroxyethylamino)-2-pentylamine

Molecular Formula

C₉H₂₂N₂O

Molecular Weight

174.28 g/mol

InChI Key

XUVXSSOPXQRCGL-UHFFFAOYSA-N

1 2D Structure

CAS 69559-11-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-aminopentyl(ethyl)amino]ethanol

2.1.2 InChI

InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3

2.1.3 InChI Key

XUVXSSOPXQRCGL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CCCC(C)N)CCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 69559-11-1

2. 2-(4-aminopentyl(ethyl)amino)ethanol

3. 2-[(4-aminopentyl)(ethyl)amino]ethanol

4. 5-(n-ethyl-n-2-hydroxyethylamino)-2-penthlamine

5. 2-[4-aminopentyl(ethyl)amino]ethanol

6. 5-(n-ethyl-n-2-hydroxyethylamino)-2-pentylamine

7. Mfcd03788185

8. 2-((4-aminopentyl)(ethyl)amino)ethan-1-ol

9. 2-[(4-aminopentyl)(ethyl)amino]ethan-1-ol

10. Einecs 274-039-9

11. Hydroxynovaldiamine

12. 4-amino-n-ethyl-(2-hydroxyethyl)-pentylamine

13. Schembl5787559

14. Dtxsid90989592

15. Bcp32637

16. Ac9483

17. 2-[(4-aminopentyl)ethylamino]ethanol

18. Akos006276141

19. 2-[(4-amino-pentyl)ethylamino]ethanol

20. As-14591

21. Sy254057

22. Db-055300

23. Ethyl-n-2-hydroxyethylamino)-2-penthlamine

24. Cs-0124046

25. Ft-0617586

26. Ft-0652739

27. Racemic 2-[(4-aminopentyl)ethylamino]-ethanol

28. 559e111

29. A836546

30. W-104618

31. Hydroxynovaldiamine;5-(n-ethyl-n-2-hydroxyethylamino)-2-penthlamine

32. 6-amino-2-(ethylamino)heptan-1-ol;5-(n-ethyl-n-2-hydroxyethylamino)-2-penthlamine

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₂₂N₂O
Molecular Weight	174.28 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	174.173213330 g/mol
Monoisotopic Mass	174.173213330 g/mol
Topological Polar Surface Area	49.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	98.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1