CAS 58349-17-0

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Chemistry

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Also known as: 58349-17-0, (s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride, (s)-(-)-5-methoxy-2-aminotetraline hydrochloride, (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride, (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride, 2-naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, hydrochloride, (2s)-

Molecular Formula

C₁₁H₁₆ClNO

Molecular Weight

213.70 g/mol

InChI Key

CGLCAQWQPIFKRX-FVGYRXGTSA-N

1 2D Structure

CAS 58349-17-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C11H15NO.ClH/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;/h2-4,9H,5-7,12H2,1H3;1H/t9-;/m0./s1

2.1.3 InChI Key

CGLCAQWQPIFKRX-FVGYRXGTSA-N

2.1.4 Canonical SMILES

COC1=CC=CC2=C1CCC(C2)N.Cl

2.1.5 Isomeric SMILES

COC1=CC=CC2=C1CC[C@@H](C2)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 58349-17-0

2. (s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Hydrochloride

3. (s)-(-)-5-methoxy-2-aminotetraline Hydrochloride

4. (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Hydrochloride

5. (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

6. 2-naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-, Hydrochloride, (2s)-

7. Schembl3468007

8. Dtxsid30483988

9. Bcp12379

10. Cs-m1827

11. Mfcd08443937

12. Akos015914933

13. Ss-4843

14. (2s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen Chloride (1/1)

15. Ac-26363

16. (s)-2-amino-5-methoxytetraline Hydrochloride

17. A24940

18. 349a170

19. (s)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine Hcl

20. (s)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine Hydrochloride

21. (s)-2-amino-5-methoxytetrahydronaphthalene Hydrochloride;(s)-2-amino-5-methoxytetralin Hydrochloride;4-tetrahydro-5-methoxy-

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆ClNO
Molecular Weight	213.70 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	213.0920418 g/mol
Monoisotopic Mass	213.0920418 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
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