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2D Structure
Also known as: 115555-77-6, Dibutylaminopropyl chloride, 1-dibutylamino-3-chloropropane hydrochloride, Dibutyl(3-chloropropyl)amine hydrochloride, N-butyl-n-(3-chloropropyl)butan-1-amine;hydrochloride, N-butyl-n-(3-chloropropyl)butan-1-amine (hydrochloride)
Molecular Formula
C11H25Cl2N
Molecular Weight
242.23  g/mol
InChI Key
UURRECHSOADBEG-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;hydrochloride
2.1.2 InChI
InChI=1S/C11H24ClN.ClH/c1-3-5-9-13(10-6-4-2)11-7-8-12;/h3-11H2,1-2H3;1H
2.1.3 InChI Key
UURRECHSOADBEG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCN(CCCC)CCCCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 115555-77-6

2. Dibutylaminopropyl Chloride

3. 1-dibutylamino-3-chloropropane Hydrochloride

4. Dibutyl(3-chloropropyl)amine Hydrochloride

5. N-butyl-n-(3-chloropropyl)butan-1-amine;hydrochloride

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

7. 3-(dibutylamino)propyl Chloride Hydrochloride (dbpc.hcl)

8. Dibutylaminopropylchloride

9. Ec 601-371-7

10. Schembl6139434

11. Dtxsid30626717

12. 1-dibutylamino-3-chloropropane Hcl

13. Amy40879

14. Dibutylamino Propylchloride Hcl Salt

15. Akos015901818

16. Dibutylaminopropyl Chloride Hydrochloride

17. Db-060738

18. Ft-0696061

19. En300-65351

20. N-butyl-n-(3-chloropropyl)-1-butanamine Hcl

21. 259d383

22. A893854

23. N-(3-chloropropyl)-n,n-dibutylamine Hydrochloride

24. 1-chloro-3-(di-n-butylamino)-propane Hydrochloride

25. N-butyl-n-(3-chloropropyl)-1-butanamine Hydrochloride

26. N-butyl-n-(3-chloropropyl)butan-1-amine--hydrogen Chloride (1/1)

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 242.23 g/mol
Molecular Formula C11H25Cl2N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass241.1364052 g/mol
Monoisotopic Mass241.1364052 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count14
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 Count2