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(4-Aminophenoxy)Benzene
CAS: 139-59-3 | C12H11NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
139-59-3
Molecular Formula:
C12H11NO
Molecular Mass:
185.23 g/mol
Names and Synonyms:
(4-Aminophenoxy)Benzene
Benzenamine, 4-phenoxy-
Aniline, p-phenoxy-
4-Phenoxybenzenamine
p-Phenoxyaniline
4-Aminodiphenyl ether
4-Phenoxyaniline
p-Aminophenyl phenyl ether
4-Amino-1-phenoxybenzene
4-Aminophenyl phenyl ether
p-Phenoxyphenylamine
4-Phenoxyphenylamine
NSC 4629
NSC 57084
NSC 61131
4-(Phenyloxy)aniline
(4-Aminophenoxy)benzene
1-Amino-4-phenoxybenzene
Identifiers:
SMILES:
Nc1ccc(Oc2ccccc2)cc1
InChI:
InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
Key Properties
Boiling Point
187-189 °C
CAS Common Chemistry
Melting Point
83 °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 |
| 185.22600000000003 g/mol | RDKit | |
| 185.084063972 g/mol | RDKit | |
| Boiling Point | 187-189 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WOYZXEVUWXQVNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C | CAS Common Chemistry |
| Name | (4-Aminophenoxy)benzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 3.0611000000000015 | RDKit |
| Molar Refractivity | 57.370400000000025 | RDKit |
