CAS 90005-55-3

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 11 Related Intermediates

1 Suppliers
1 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 90005-55-3, 3-amino-2-hydroxyacetophenone hydrochloride, 3'-amino-2'-hydroxyacetophenone, hcl, Ethanone, 1-(3-amino-2-hydroxyphenyl)-, hydrochloride, 1-(3-amino-2-hydroxyphenyl)ethanone;hydrochloride, 3'-amino-2'-hydroxyacetophenone hcl

Molecular Formula

C₈H₁₀ClNO₂

Molecular Weight

187.62 g/mol

InChI Key

BSWMUKIPTBQFPN-UHFFFAOYSA-N

1 2D Structure

CAS 90005-55-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-amino-2-hydroxyphenyl)ethanone;hydrochloride

2.1.2 InChI

InChI=1S/C8H9NO2.ClH/c1-5(10)6-3-2-4-7(9)8(6)11;/h2-4,11H,9H2,1H3;1H

2.1.3 InChI Key

BSWMUKIPTBQFPN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=C(C(=CC=C1)N)O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 90005-55-3

2. 3-amino-2-hydroxyacetophenone Hydrochloride

3. 3'-amino-2'-hydroxyacetophenone, Hcl

4. Ethanone, 1-(3-amino-2-hydroxyphenyl)-, Hydrochloride

5. 1-(3-amino-2-hydroxyphenyl)ethanone;hydrochloride

6. 3'-amino-2'-hydroxyacetophenone Hcl

7. 3-amino-2-hydroxyacetophenone Hcl

8. 1-(3-amino-2-hydroxyphenyl)ethanone Hydrochloride

9. 1-(3-amino-2-hydroxy-phenyl)-ethanone Hydrochloride

10. Schembl6950003

11. Dtxsid10332627

12. Bcp10837

13. Ethanone, 1-(3-amino-2-hydroxyphenyl)-, Hydrochloride (1:1)

14. Mfcd03790987

15. Akos015951165

16. 1-(3-amino-2-hydroxy-phenyl)ethanone

17. Ac-6722

18. 3-amino-2-hydroxyacetophenonehydrochloride

19. Db-023145

20. 3'-amino-2'-hydroxyacetophenonehydrochloride

21. 3-amino-2-hydroxyacetophenone, Hydrochloride

22. Am20080675

23. Cs-0155147

24. Ft-0642154

25. 3\'-amino-2\'-hydroxyacetophenone Hydrochloride

26. 790a987

27. Q-200357

28. 1-(3-amino-2-hydroxyphenyl)ethan-1-one Hydrochloride

29. 3'-amino-2'-hydroxyacetophenone Hydrochloride, Aldrichcpr

30. 1-(3-amino-2-hydroxyphenyl)ethan-1-one--hydrogen Chloride (1/1)

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀ClNO₂
Molecular Weight	187.62 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	187.0400063 g/mol
Monoisotopic Mass	187.0400063 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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