Back to Search
Metol
CAS: 55-55-0 | C7H11NO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55-55-0
Molecular Formula:
C7H11NO5S
Molecular Mass:
221.23 g/mol
Names and Synonyms:
Metol
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)
Metol
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
Identifiers:
SMILES:
CNc1ccc(O)cc1.O=S(=O)(O)O
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)
Key Properties
Melting Point
260 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.23 g/mol | CAS Common Chemistry |
| 221.23399999999998 g/mol | RDKit | |
| 221.035793452 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Metol | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)O.OC1=CC=C(C=C1)NC | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=OHYPPUOVSUINHM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Metol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 106.86000000000001 Ų | RDKit |
| LogP | 0.7810999999999999 | RDKit |
| Molar Refractivity | 51.830900000000014 | RDKit |
