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Molecule
Metol
CAS: 55-55-0 · C7H11NO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55-55-0
- Molecular Formula
- C7H11NO5S
- Molecular Mass
- 221.23 g/mol
Identifiers
CAS Registry Number
55-55-0
SMILES
CNc1ccc(O)cc1.O=S(=O)(O)O
InChI Key
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)
Names and Synonyms
- Metol Common Name
- Phenol, 4-(methylamino)-, sulfate (2:1) Synonym
- Phenol, p-(methylamino)-, sulfate (2:1) (salt) Synonym
- Phenol, 4-(methylamino)-, sulfate (2:1) (salt) Synonym
- Armol Synonym
- Elon Synonym
- Genol Synonym
- Graphol Synonym
- p-Methylaminophenol sulphate (2:1) Synonym
- Metol Synonym
- Photol Synonym
- Pictol Synonym
- Planetol Synonym
- Rhodol Synonym
- Metatyl Synonym
- N-Methyl-p-aminophenol sulfate Synonym
- p-Methylaminophenol sulfate Synonym
- 4-(Methylamino)phenol sulfate (2:1) salt Synonym
- N-Methyl-4-hydroxyaniline hemisulfate Synonym
- Elon (developer) Synonym
- N-Methyl-p-aminophenol sulfuric acid salt (2:1) Synonym
- N-Methyl-p-aminophenol sulfuric acid hemisalt Synonym
- 4-(Methylamino)phenol hemisulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.23 g/mol | CAS Common Chemistry |
| 221.23399999999998 g/mol | RDKit | |
| 221.234 g/mol | RDKit | |
| 221.227 g/mol | chempirical lib | |
| 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 |
| 106.86 Ų | RDKit | |
| LogP | 0.7810999999999999 | RDKit |
| 0.7811 | RDKit | |
| Molar Refractivity | 51.830900000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 221.035793452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 221.23 g/mol. Edit any field — others recompute live.
