CAS 5409-58-5

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2 Suppliers, 2 End Use APIs, 6 Related Intermediates

2 Suppliers
2 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 5409-58-5, (3-dimethylamino)-1''-propionapthone hydrochloride, 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride, 3-(dimethylamino)-1-(1-naphthyl)-1-propanone hydrochloride, Mfcd00554996, 3-(dimethylamino)-1-(1-naphthalenyl)-1-propanone hydrochloride

Molecular Formula

C₁₅H₁₈ClNO

Molecular Weight

263.76 g/mol

InChI Key

GUTDWEKYWTXJGD-UHFFFAOYSA-N

1 2D Structure

CAS 5409-58-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride

2.1.2 InChI

InChI=1S/C15H17NO.ClH/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9H,10-11H2,1-2H3;1H

2.1.3 InChI Key

GUTDWEKYWTXJGD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCC(=O)C1=CC=CC2=CC=CC=C21.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5409-58-5

2. (3-dimethylamino)-1''-propionapthone Hydrochloride

3. 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride

4. 3-(dimethylamino)-1-(1-naphthyl)-1-propanone Hydrochloride

5. Mfcd00554996

6. 3-(dimethylamino)-1-(1-naphthalenyl)-1-propanone Hydrochloride

7. 3-dimethylamino-1-(naphthalen-1-yl)propan-1-one Hydrochloride

8. 1-propanone, 3-(dimethylamino)-1-(1-naphthalenyl)-, Hydrochloride

9. 3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-one Hcl

10. 1-propanone,3-(dimethylamino)-1-(1-naphthalenyl)-, Hydrochloride (1:1)

11. 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one,hydrochloride

12. Schembl297233

13. Amy447

14. Dtxsid30636457

15. Bcp10258

16. Cs-b0837

17. Nsc12491

18. Nsc 12491

19. Nsc-12491

20. Akos022182609

21. Ac-28387

22. As-19594

23. Da-23676

24. Sy027707

25. Ft-0714136

26. A852340

27. 3-(dimethylamino)-1-(1-naphthyl)-1-propanone Hcl

28. (3-dimethylamino)-1-propionapthone Hydrochloride

29. 3-dimethylamino-1-naphthalen-1-ylpropan-1-one Hydrochloride

30. 3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-onehydrochloride

31. 3-(dimethylamino)-1-(naphthalen-1-yl)propan-1-one--hydrogen Chloride (1/1)

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈ClNO
Molecular Weight	263.76 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	263.1076919 g/mol
Monoisotopic Mass	263.1076919 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	262
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