CAS 55-55-0

Chemistry

Chemistry

Also known as: Metol, Graphol, Metatyl, Planetol, Photol, Pictol

Molecular Formula

C₁₄H₂₀N₂O₆S

Molecular Weight

344.39 g/mol

InChI Key

ZVNPWFOVUDMGRP-UHFFFAOYSA-N

FDA UNII

D3W0VWG12M

1 2D Structure

CAS 55-55-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(methylamino)phenol;sulfuric acid

2.1.2 InChI

InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)

2.1.3 InChI Key

ZVNPWFOVUDMGRP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC1=CC=C(C=C1)O.CNC1=CC=C(C=C1)O.OS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

D3W0VWG12M

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(methylamino)phenol

2. 4-n-methylaminophenol

3. Metol

4. Metol Sulfate (2:1)

5. N-methyl-4-aminophenol

6. P-methylaminophenol Sulfate

2.3.2 Depositor-Supplied Synonyms

1. Metol

2. Graphol

3. Metatyl

4. Planetol

5. Photol

6. Pictol

7. Armol

8. Genol

9. P-methylaminophenolsulfate

10. Paramethylaminophenol Sulfate

11. P-methylaminophenol Sulphate (2:1)

12. 4-(methylamino)phenol Hemisulfate

13. Bis(4-hydroxy-n-methylanilinium) Sulphate

14. Chebi:55413

15. N-methyl-4-hydroxyaniline Hemisulfate

16. D3w0vwg12m

17. Phenol, 4-(methylamino)-, Sulfate (2:1)

18. 4-(methylamino)phenol Sulfate (2:1) (salt)

19. Phenol, 4-(methylamino)-, Sulfate Salt (2:1)

20. Phenol, P-(methylamino)-, Sulfate (2:1) (salt)

21. 4-(methylamino)phenol Hemisulfate Salt

22. Mfcd00013140

23. Rhodol (van)

24. Elon (van)

25. P-methylaminophenol Sulfate (van)

26. Ccris 4842

27. Monomethyl-p-aminophenol Hemisulfate

28. Einecs 200-237-1

29. Nsc 148345

30. Jarocol Pmap

31. Colorex Pm

32. Phenol, P-methylamino-, Sulfate (salt)

33. Ai3-15404

34. Dsstox_cid_5565

35. Epitope Id:117717

36. Unii-d3w0vwg12m

37. Dsstox_rid_77831

38. Dsstox_gsid_25565

39. Phenol, 4-(methylamino)-, Sulfate (2:1) (salt)

40. Schembl121335

41. Chembl1303139

42. Dtxsid6025565

43. Bis[4-(methylamino)phenol] Sulfate

44. Tox21_200906

45. Akos015950625

46. Bis(p-methylaminophenol) Sulfuric Acid

47. Cs-w014737

48. Cas-55-55-0

49. Ecol(tm), >=98% (hplc)

50. P-methylaminophenol Sulfate [mi]

51. Ncgc00091383-01

52. Ncgc00258460-01

53. P-methylaminophenol Sulfate [inci]

54. M0145

55. Q424581

56. J-610072

57. 4-(methylamino)phenol Hemisulfate Salt, P.a., 99.0%

58. F1908-0068

59. 4-(methylamino)phenol Hemisulfate Salt, Acs Reagent, 99%

60. Metol, Purum, For Photographic Purposes, >=98.0% (hplc)

61. Metol Acs Reagent, For Spectrophotometric Det. Of Inorganic Phosphate, =99.0%

62. Metol, Acs Reagent, For Spectrophotometric Det. Of Inorganic Phosphate, >=99.0%

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₀N₂O₆S
Molecular Weight	344.39 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	344.10420754 g/mol
Monoisotopic Mass	344.10420754 g/mol
Topological Polar Surface Area	148 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	158
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	3

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