CAS 115555-77-6

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1 End Use APIs
21 Related Intermediates

Chemistry

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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

CAS 115555-77-6

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 Formula	C₁₁H₂₅Cl₂N
Molecular Weight	242.23 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	241.1364052 g/mol
Monoisotopic Mass	241.1364052 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	14
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	2