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CAS 521284-22-0

Chemistry, 7 End Use API, 42 Related Intermediates

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Also known as: 521284-22-0, Benzenemethanol hydrochloride, 3v56q7e5e3, (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride, 2-((4-aminophenethyl)amino)-1-phenylethanol hydrochloride, (r)-, (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol hcl

Molecular Formula

C₁₆H₂₁ClN₂O

Molecular Weight

292.80 g/mol

InChI Key

QILVTBCJVNFIDP-NTISSMGPSA-N

FDA UNII

3V56Q7E5E3

1 2D Structure

CAS 521284-22-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol;hydrochloride

2.1.2 InChI

InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14;/h1-9,16,18-19H,10-12,17H2;1H/t16-;/m0./s1

2.1.3 InChI Key

QILVTBCJVNFIDP-NTISSMGPSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O.Cl

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)N)O.Cl

2.2 Other Identifiers

2.2.1 UNII

3V56Q7E5E3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 521284-22-0

2. Benzenemethanol Hydrochloride

3. 3v56q7e5e3

4. (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol Hydrochloride

5. 2-((4-aminophenethyl)amino)-1-phenylethanol Hydrochloride, (r)-

6. (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol Hcl

7. (r)-2-[[2-(4-aminophenyl)ethyl]amino]-1-phenylethanol Monohydrochloride

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

9. (r)-2-(4-aminophenethylamino)-1-phenylethanol Hydrochloride

10. Ec 700-425-8

11. Unii-3v56q7e5e3

12. Schembl1405554

13. Chembl3542321

14. Amy7839

15. Dtxsid901045084

16. (1r)-2-((2-(4-aminophenyl)-ethyl)amino)-1-phenylethanol Hcl

17. Bcp23726

18. Mfcd28124345

19. Akos024462508

20. Ds-7813

21. Ac-27747

22. Cs-0010221

23. A854760

24. (r)-2-((4-aminophenethyl)amino)-1-phenylethanol Hcl

25. (alphar)-alpha-(((2-(4-aminophenyl)ethyl)amino)methyl)

26. (r)-2-((4-aminophenethyl)amino)-1-phenylethanolhydrochloride

27. (r)-2-(2-(4-aminophenyl)ethylamino)-1-phenylethanol Hydrochloride

28. (r)-2-[[2-(4-amino-phenyl)ethyl]amino]-1-phenylethanol Monohydrochloride

29. (r)-2-[[2-(4-aminophenyl) Ethyl]amino]-1-phenylethanol Monohydrochloride

30. (alphar)-alpha-[[[2-(4-aminophenyl)ethyl]amino]methyl]benzenemethanol (hydrochloride)

31. (r)-2-((2-(4-aminophenyl)ethyl)amino)-1-phenylethanol Hydrochloride

32. (r)-2-(4-aminophenethylamino)-1-phenylethanol Hydrochloride;(r)-2-((4-aminophenethyl)amino)-1-phenylethanol Hydrochloride

33. Benzenemethanol, .alpha.-(((2-(4-aminophenyl)ethyl)amino)methyl)-, Hydrochloride (1:1), (.alpha.r)-

34. Benzenemethanol, .alpha.-(((2-(4-aminophenyl)ethyl)amino)methyl)-, Monohydrochloride, (.alpha.r)-

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

2.4 Create Date

2011-06-20

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₁ClN₂O
Molecular Weight	292.80 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	292.1342410 g/mol
Monoisotopic Mass	292.1342410 g/mol
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	233
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

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(1R)-2-{[2-(4-nitrophenyl)ethyl]amino}-1-phenylethanol

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CAS Number

223673-34-5

End Use API

Mirabegron

About the Company

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...

ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.

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