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4-Amino-2-Methylphenol
CAS: 2835-96-3 | C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2835-96-3
Molecular Formula:
C7H9NO
Molecular Mass:
123.16 g/mol
Names and Synonyms:
4-Amino-2-Methylphenol
Phenol, 4-amino-2-methyl-
o-Cresol, 4-amino-
4-Amino-2-methylphenol
3-Methyl-4-hydroxyaniline
2-Methyl-4-aminophenol
4-Hydroxy-3-methylaniline
5-Amino-2-hydroxytoluene
3-Amino-6-hydroxytoluene
4-Amino-o-cresol
p-Amino-o-cresol
2-Methyl-p-aminophenol
4-Amino-2-cresol
Identifiers:
SMILES:
Cc1cc(N)ccc1O
InChI:
InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
Key Properties
Melting Point
176.5 °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 | 123.16 g/mol | CAS Common Chemistry |
| 123.15499999999999 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Canonical SMILES | OC1=CC=C(N)C=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HDGMAACKJSBLMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176.5 °C | CAS Common Chemistry |
| Name | 4-Amino-2-methylphenol | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.2828199999999998 | RDKit |
| Molar Refractivity | 37.2562 | RDKit |
