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3-[(2-Methylphenyl)Amino]Phenol
CAS: 6264-98-8 | C13H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6264-98-8
Molecular Formula:
C13H13NO
Molecular Mass:
199.25 g/mol
Names and Synonyms:
3-[(2-Methylphenyl)Amino]Phenol
Phenol, 3-[(2-methylphenyl)amino]-
Phenol, m-(o-toluidino)-
3-[(2-Methylphenyl)amino]phenol
m-(o-Toluidino)phenol
3-Hydroxy-2′-methyldiphenylamine
3-(2-Methylanilino)phenol
2-Methyl-3′-hydroxydiphenylamine
3-o-Tolylamino-phenol
Identifiers:
SMILES:
Cc1ccccc1Nc1cccc(O)c1
InChI:
InChI=1S/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3
Key Properties
Boiling Point
187 °C @ Press: 2 Torr
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 | 199.25 g/mol | CAS Common Chemistry |
| 199.25300000000001 g/mol | RDKit | |
| 199.099714036 g/mol | RDKit | |
| Boiling Point | 187 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC(=C1)NC=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13NO/c1-10-5-2-3-8-13(10)14-11-6-4-7-12(15)9-11/h2-9,14-15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SUHWXARLXCIBFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-[(2-Methylphenyl)amino]phenol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 3.4442200000000014 | RDKit |
| Molar Refractivity | 62.56850000000003 | RDKit |
