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Also known as: 521284-21-9, 345jw7xby4, (1r)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride, Mfcd26407510, (r)-2-((2-(4-nitrophenyl)-ethyl)amino)-1-phenylethanol monohydrochloride, (r)-2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol monohydrochloride
Molecular Formula
C16H19ClN2O3
Molecular Weight
322.78  g/mol
InChI Key
LUAUJCGKCGBAKA-NTISSMGPSA-N
FDA UNII
345JW7XBY4

CAS 521284-21-9
1 2D Structure

CAS 521284-21-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride
2.1.2 InChI
InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1
2.1.3 InChI Key
LUAUJCGKCGBAKA-NTISSMGPSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl
2.2 Other Identifiers
2.2.1 UNII
345JW7XBY4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 521284-21-9

2. 345jw7xby4

3. (1r)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride

4. Mfcd26407510

5. (r)-2-((2-(4-nitrophenyl)-ethyl)amino)-1-phenylethanol Monohydrochloride

6. (r)-2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol Monohydrochloride

7. (r)-alpha-[[(4-nitrophenethyl)amino]methyl]benzyl Alcohol Hydrochloride

8. 2-((2-(4-nitrophenyl)-ethyl)amino)-1-phenylethanol Monohydrochloride, (r)-

9. 2-[[2-(4-nitrophenyl)-ethyl]amino]-1-phenylethanol Monohydrochloride, (r)-

10. Benzenemethanol, Alpha-(((2-(4-nitrophenyl)ethyl)amino)methyl)-, Hydrochloride (1:1), (alphar)-

11. Benzenemethanol, Alpha-(((2-(4-nitrophenyl)ethyl)amino)methyl)-, Monohydrochloride, (alphar)-

12. Benzenemethanol, Alpha-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, Hydrochloride (1:1), (alphar)-

13. Benzenemethanol, Alpha-[[[2-(4-nitrophenyl)ethyl]amino]methyl]-, Monohydrochloride, (alphar)-

14. Unii-345jw7xby4

15. Schembl1405434

16. Dtxsid20736218

17. Akos022171673

18. Ds-5837

19. Ac-26411

20. Cs-0020476

21. A50817

22. (r)-2-((4-nitrophenethyl)amino)-1-phenylethanol Hcl

23. (r)-2-(4-nitrophenethylamino)-1-phenylethanol Hcl

24. (r)-2-((4-nitrophenethyl)amino)-1-phenylethanolhydrochloride

25. (r)-2-(4-nitrophenethylamino)-1-phenylethanol Hydrochloride

26. (r)-2-[[2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol Hydrochloride

27. (r)-2-[[2-(4-nitrophenyl)ethyl]amino]-1-phenylethanol Monohydrochloride

28. (1r)-2-{[2-(4-nitrophenyl)ethyl]amino}-1-phenylethan-1-ol--hydrogen Chloride (1/1)

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 322.78 g/mol
Molecular Formula C16H19ClN2O3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass322.1084202 g/mol
Monoisotopic Mass322.1084202 g/mol
Topological Polar Surface Area78.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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