CAS 51388-20-6

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Also known as: 51388-20-6, 4-(benzyloxy)aniline hydrochloride, 4-benzyloxyaniline hcl, 4-benzyloxyaniline, hcl, 4-phenylmethoxyaniline;hydrochloride, Benzenamine, 4-(phenylmethoxy)-, hydrochloride

Molecular Formula

C₁₃H₁₄ClNO

Molecular Weight

235.71 g/mol

InChI Key

KQBDLOVXZHOAJI-UHFFFAOYSA-N

1 2D Structure

CAS 51388-20-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-phenylmethoxyaniline;hydrochloride

2.1.2 InChI

InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H

2.1.3 InChI Key

KQBDLOVXZHOAJI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 51388-20-6

2. 4-(benzyloxy)aniline Hydrochloride

3. 4-benzyloxyaniline Hcl

4. 4-benzyloxyaniline, Hcl

5. 4-phenylmethoxyaniline;hydrochloride

6. Benzenamine, 4-(phenylmethoxy)-, Hydrochloride

7. Mfcd00012995

8. 4-(phenylmethoxy)aniline Hydrochloride

9. Einecs 257-170-6

10. [4-(benzyloxy)phenyl]amine Hydrochloride

11. Ai3-52569

12. Schembl371743

13. 4-benzyloxyanilinehydrochloride

14. P-benzyloxyaniline Hydrochloride

15. Dtxsid20199389

16. P-(benzyloxy)aniline Hydrochloride

17. Act00151

18. 4-benzyloxy-phenylamine Hydrochloride

19. 4-benzyloxyaniline Hydrochloride Salt

20. Ac7908

21. Akos005287354

22. Cs-w014671

23. Ps-7655

24. 4-aminophenyl Benzyl Ether Hydrochloride

25. 4-benzyloxyaniline Hydrochloric Acid Salt

26. 4-(benzyloxy)aniline Hydrochloride, 98%

27. 4-[(phenylmethyl)oxy]aniline Hydrochloride

28. Db-071347

29. Am20060650

30. Ft-0617659

31. Ft-0617660

32. B-1400

33. 388b206

34. A828565

35. Sr-01000597195

36. Sr-01000597195-1

37. F0850-6734

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₄ClNO
Molecular Weight	235.71 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	235.0763918 g/mol
Monoisotopic Mass	235.0763918 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	169
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