CAS 36421-15-5

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4 End Use APIs
18 Related Intermediates

Chemistry

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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

CAS 36421-15-5

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 Formula	C₁₁H₂₄ClN
Molecular Weight	205.77 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	205.1597275 g/mol
Monoisotopic Mass	205.1597275 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	88.1
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