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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

CAS 69559-11-1
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 Weight 174.28 g/mol
Molecular Formula C9H22N2O
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass174.173213330 g/mol
Monoisotopic Mass174.173213330 g/mol
Topological Polar Surface Area49.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity98.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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