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2-Amino-4,6-Dimethylphenol
CAS: 41458-65-5 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41458-65-5
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
2-Amino-4,6-Dimethylphenol
Phenol, 2-amino-4,6-dimethyl-
2,4-Xylenol, 6-amino-
2-Amino-4,6-dimethylphenol
1-Amino-2-hydroxy-3,5-dimethylbenzene
6-Amino-2,4-xylenol
2-Hydroxy-3,5-dimethylaniline
4,6-Dimethyl-2-aminophenol
6-Amino-2,4-dimethylphenol
2,4-Dimethyl-6-aminophenol
NSC 315547
Identifiers:
SMILES:
Cc1cc(C)c(O)c(N)c1
InChI:
InChI=1S/C8H11NO/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,9H2,1-2H3
Key Properties
Melting Point
130 °C
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 | 137.18 g/mol | CAS Common Chemistry |
| 137.18200000000002 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Canonical SMILES | OC1=C(N)C=C(C=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-5-3-6(2)8(10)7(9)4-5/h3-4,10H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GISWNAMJAQRJPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | 2-Amino-4,6-dimethylphenol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 1.5912400000000002 | RDKit |
| Molar Refractivity | 41.99320000000001 | RDKit |
