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2D Structure
Also known as: 36421-15-5, N-butyl-n-(3-chloropropyl)butan-1-amine, 1-dibutylamino-3-chloropropane, N-butyl-n-(3-chloropropyl)-1-butanamine, Nsc51133, Einecs 253-027-7
Molecular Formula
C11H24ClN
Molecular Weight
205.77  g/mol
InChI Key
ANLMKUQEPXRMGV-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-butyl-N-(3-chloropropyl)butan-1-amine
2.1.2 InChI
InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
2.1.3 InChI Key
ANLMKUQEPXRMGV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCN(CCCC)CCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 36421-15-5

2. N-butyl-n-(3-chloropropyl)butan-1-amine

3. 1-dibutylamino-3-chloropropane

4. N-butyl-n-(3-chloropropyl)-1-butanamine

5. Nsc51133

6. Einecs 253-027-7

7. 3-chloropropyldibutylamine

8. Dibutylamino-propylchloride

9. Unii-5zlc4by7k5

10. 3-dibutylaminopropylchloride

11. 5zlc4by7k5

12. Dibutyl(3-chloropropyl)amine

13. (3-chloropropyl)dibutylamine

14. Schembl282416

15. 1-chloro-3-dibutylaminopropane

16. N,n-dibutyl-3-chloropropylamine

17. 3-di-n-butylaminopropyl Chloride

18. Dtxsid40189949

19. 1-chloro-3-(dibutylamino)propane

20. Bcp14820

21. Cs-m0185

22. Zinc1682366

23. 1-chloro-3-di-n-butylamino Propane

24. Mfcd13185966

25. Nsc 51133

26. Nsc-51133

27. 1-chloro-3-(di-n-butylamino)propane

28. Akos010541010

29. 1-chloro-3-(di-n-butylamino) Propane

30. 1-chloro-3-(di-n-butylamino)-propane

31. Ac-26407

32. Am803782

33. Ds-17907

34. Db-069370

35. Ft-0696060

36. 421d155

37. A823240

38. 2-(n-butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran

39. Methyl 2-acetamidoprop-2-enoate;n-butyl-n-(3-chloropropyl)butan-1-amine

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 205.77 g/mol
Molecular Formula C11H24ClN
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass205.1597275 g/mol
Monoisotopic Mass205.1597275 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity88.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1