CAS 1533519-92-4

1 2D Structure

CAS 1533519-92-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-cyclopropylnaphthalen-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C13H13N.ClH/c14-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13;/h1-4,7-9H,5-6,14H2;1H

2.1.3 InChI Key

CIQWZUGROQAMOL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1C2=CC=C(C3=CC=CC=C23)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1533519-92-4

2. 4-cyclopropyl-1-naphthalenamine Hydrochloride

3. 4-cyclopropylnaphthalen-1-amine Hcl

4. Lesinurad Impurity 14 Hcl

5. 4-cyclopropylnaphthalene -1-amine Hydrochloride

6. Mfcd28387394

7. 4-cyclopropylnaphthalen-1-amine;hydrochloride

8. 4-cyclopropyl-1-naphthalenamine Hcl

9. Schembl17063707

10. Amy5869

11. Bcp13286

12. Cs-d1213

13. Cs3418

14. Sb79391

15. Ac-30099

16. Ds-18917

17. Sy060949

18. 4-cyclopropylnaphthalen-1-aminehydrochloride

19. Db-089285

2.3 Create Date

2015-09-01

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄ClN
Molecular Weight	219.71 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	219.0814771 g/mol
Monoisotopic Mass	219.0814771 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	209
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

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