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Technical details about MolPort-001-790-235, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 555-96-4, Benzyl-hydrazine, (phenylmethyl)hydrazine, Hydrazine, (phenylmethyl)-, Hydrazine, benzyl-, Benzyl hydrazine
Molecular Formula
C7H10N2
Molecular Weight
122.17  g/mol
InChI Key
NHOWLEZFTHYCTP-UHFFFAOYSA-N
FDA UNII
9VP7PK6UMV

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzylhydrazine
2.1.2 InChI
InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2
2.1.3 InChI Key
NHOWLEZFTHYCTP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CNN
2.2 Other Identifiers
2.2.1 UNII
9VP7PK6UMV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Benzylhydrazine Dihydrochloride

2. Benzylhydrazine Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 555-96-4

2. Benzyl-hydrazine

3. (phenylmethyl)hydrazine

4. Hydrazine, (phenylmethyl)-

5. Hydrazine, Benzyl-

6. Benzyl Hydrazine

7. 1-benzylhydrazine

8. Benzyl Hydrazide

9. 9vp7pk6umv

10. Mfcd00869518

11. Benzyl-hydrazine Hydrochloride

12. Unii-9vp7pk6umv

13. Hydrazine,(phenylmethyl)-

14. Brn 0742269

15. 1-benzylhydrazine #

16. Spectrum2_001223

17. Spectrum3_001147

18. Spectrum4_001987

19. 1-(phenylmethyl)hydrazine

20. 1 -(phenylmethyl)hydrazine

21. Bspbio_002673

22. Kbiogr_002520

23. 4-15-00-01245 (beilstein Handbook Reference)

24. Schembl176979

25. Spbio_001066

26. Schembl7373838

27. Chembl1231544

28. Dtxsid2043749

29. Schembl13266148

30. Kbio3_002173

31. Albb-029808

32. Am9983

33. Bbl029077

34. Bdbm50146445

35. Stk398242

36. Zinc19166973

37. Akos000116799

38. Ncgc00178536-01

39. Ncgc00178536-02

40. Bs-12996

41. Db-005412

42. Bb 0219935

43. Cs-0013904

44. Ft-0601155

45. En300-08782

46. 555b964

47. Q27273287

48. Z56969306

49. F2169-0391

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 122.17 g/mol
Molecular Formula C7H10N2
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass122.084398327 g/mol
Monoisotopic Mass122.084398327 g/mol
Topological Polar Surface Area38 Ų
Heavy Atom Count9
Formal Charge0
Complexity67.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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