CAS 521284-22-0

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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

2D Structure

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

CAS 521284-22-0

CAS 521284-22-0

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

8 Suppliers

8 End Use APIs

48 Related Intermediates

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