chempirical

Metol

C7H11NO5SCAS 55-55-0221.23 g/mol

Open in Covalent MOL file
HNOHOSOHOOH
PhenolSecondary amine

Properties

Molecular formula
C7H11NO5S
Molar mass
221.23 g/mol
Exact mass
221.0358 Da
Melting point
260 °C (decomposes)
logP
0.78Crippen estimate
Polar surface area
106.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
1

Identifiers

CAS number
55-55-0
SMILES
CNc1ccc(O)cc1.O=S(=O)(O)O
InChIKey
OHYPPUOVSUINHM-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO.H2O4S/c1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2-5,8-9H,1H3;(H2,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • Phenol, 4-(methylamino)-, sulfate (2:1)
  • Phenol, p-(methylamino)-, sulfate (2:1) (salt)
  • Phenol, 4-(methylamino)-, sulfate (2:1) (salt)
  • Armol
  • Elon
  • Genol
  • Graphol
  • p-Methylaminophenol sulphate (2:1)
  • Photol
  • Pictol
  • Planetol
  • Rhodol
  • Metatyl
  • N-Methyl-p-aminophenol sulfate
  • p-Methylaminophenol sulfate
  • 4-(Methylamino)phenol sulfate (2:1) salt
  • N-Methyl-4-hydroxyaniline hemisulfate
  • Elon (developer)
  • N-Methyl-p-aminophenol sulfuric acid salt (2:1)
  • N-Methyl-p-aminophenol sulfuric acid hemisalt
  • 4-(Methylamino)phenol hemisulfate

Work with Metol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methyl-P-aminophenol150-75-469 % similar p-Aminophenol sulfate63084-98-053 % similar Hordenine sulfate622-64-047 % similar 4,4′-Diaminodiphenylamine sulfate53760-27-343 % similar N-Methyl J acid22346-43-641 % similar Phenylhydrazine sulfate52033-74-640 % similar N-(4-Hydroxyphenyl)benzenesulfonamide5471-90-939 % similar 4-Hydroxybenzenesulfonic acid98-67-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia