CAS 29601-98-7

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Also known as: 29601-98-7, N-benzylhydroxylamine hcl, N-benzyl-hydroxylamine hydrochloride, N-benzylhydroxylamine;hydrochloride, Benzenemethanamine, n-hydroxy-, hydrochloride, N-benzyl-n-hydroxylamine hydrochloride

Molecular Formula

C₇H₁₀ClNO

Molecular Weight

159.61 g/mol

InChI Key

YSNXOQGDHGUKCZ-UHFFFAOYSA-N

1 2D Structure

CAS 29601-98-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzylhydroxylamine;hydrochloride

2.1.2 InChI

InChI=1S/C7H9NO.ClH/c9-8-6-7-4-2-1-3-5-7;/h1-5,8-9H,6H2;1H

2.1.3 InChI Key

YSNXOQGDHGUKCZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CNO.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 29601-98-7

2. N-benzylhydroxylamine Hcl

3. N-benzyl-hydroxylamine Hydrochloride

4. N-benzylhydroxylamine;hydrochloride

5. Benzenemethanamine, N-hydroxy-, Hydrochloride

6. N-benzyl-n-hydroxylamine Hydrochloride

7. N-benzylhydroxylamine;hydron;chloride

8. Mfcd00043377

9. N-benzylhydroxyamine Hydrochloride

10. Ticagrelor Intermediates

11. Schembl359448

12. Ambz0382

13. N-benzylhydroxylamne Hydrochlorde

14. Dtxsid30462571

15. N-hydroxybenzylamine Hydrochloride

16. Act03189

17. Bcp07876

18. N-benzyl Hydroxylamine Hydrochloride

19. Akos015889866

20. Cs-w002216

21. Gs-3832

22. Sb36439

23. N-benzylhydroxylamine Hydrochloride, 95%

24. N-benzylhydroxylamine Hydrochloride, 97%

25. Sy019534

26. Am20120645

27. B4073

28. Ft-0689244

29. 601b987

30. J-017577

31. J-523481

32. Benzenemethanamine, N-hydroxy-, Hydrochloride (1:1)

33. N-benzylhydroxylamine Hydrochloride, Puriss., >=99.0% (at)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀ClNO
Molecular Weight	159.61 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	159.0450916 g/mol
Monoisotopic Mass	159.0450916 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	69.3
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

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