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2-Amino-4-Phenylphenol
CAS: 1134-36-7 | C12H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1134-36-7
Molecular Formula:
C12H11NO
Molecular Mass:
185.23 g/mol
Names and Synonyms:
2-Amino-4-Phenylphenol
[1,1′-Biphenyl]-4-ol, 3-amino-
4-Biphenylol, 3-amino-
Phenol, 2-amino-4-phenyl-
3-Amino[1,1′-biphenyl]-4-ol
3-Amino-4-hydroxybiphenyl
2-Amino-4-phenylphenol
2-Hydroxy-5-phenylaniline
4-Phenyl-2-aminophenol
NSC 7950
3-Amino-4-biphenylol
Identifiers:
SMILES:
Nc1cc(-c2ccccc2)ccc1O
InChI:
InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
Key Properties
Melting Point
208 °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 | 185.23 g/mol | CAS Common Chemistry |
| 185.226 g/mol | RDKit | |
| 185.084063972 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC(=CC1N)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGIDZGNPFWGICD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | 2-Amino-4-phenylphenol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 2.6414000000000013 | RDKit |
| Molar Refractivity | 57.955200000000026 | RDKit |
