CAS 82572-04-1

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Also known as: 82572-04-1, (1r)-1-naphthalen-1-ylethanamine;hydrochloride, (r)-(+)-1-(1-naphthyl)ethylamine hydrochloride, (r)-1-(naphthalen-1-yl)ethanamine hcl, (r)-1-(1-naphthyl)ethylamine hydrochloride, (1r)-1-(1-naphthyl)ethylamine hydrochloride

Molecular Formula

C₁₂H₁₄ClN

Molecular Weight

207.70 g/mol

InChI Key

ZTNKTVBJMXQOBQ-SBSPUUFOSA-N

1 2D Structure

CAS 82572-04-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-1-naphthalen-1-ylethanamine;hydrochloride

2.1.2 InChI

InChI=1S/C12H13N.ClH/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11;/h2-9H,13H2,1H3;1H/t9-;/m1./s1

2.1.3 InChI Key

ZTNKTVBJMXQOBQ-SBSPUUFOSA-N

2.1.4 Canonical SMILES

CC(C1=CC=CC2=CC=CC=C21)N.Cl

2.1.5 Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 82572-04-1

2. (1r)-1-naphthalen-1-ylethanamine;hydrochloride

3. (r)-(+)-1-(1-naphthyl)ethylamine Hydrochloride

4. (r)-1-(naphthalen-1-yl)ethanamine Hcl

5. (r)-1-(1-naphthyl)ethylamine Hydrochloride

6. (1r)-1-(1-naphthyl)ethylamine Hydrochloride

7. (r)-1-(naphthalen-1-yl)ethanamine (hydrochloride)

8. Schembl7597590

9. Dtxsid30487446

10. Amy37485

11. Cs-m1367

12. (r)-1-(1-naphthyl)ethylamine Hcl

13. Mfcd07369798

14. Akos016001488

15. (r)-(+)-1,1-naphthyl Ethylamine Hci

16. Cs-13883

17. (r)-(+)-1-(1-naphthyl) Ethylamine, Hcl

18. (1r)-1-naphthalen-1-ylethanamine Hydrochloride

19. N12093

20. (r)-1-(naphthalen-1-yl)ethanaminehydrochloride

21. A864383

22. W-203875

23. (1r)-1-(naphthalen-1-yl)ethan-1-amine Hydrochloride

24. (r)-(+)-1-(1-naphthyl)ethylamine Hydrochloride, 97%

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄ClN
Molecular Weight	207.70 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	207.0814771 g/mol
Monoisotopic Mass	207.0814771 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2