Back to Search
1,3-Bis(4-Aminophenoxy)Benzene
CAS: 2479-46-1 | C18H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2479-46-1
Molecular Formula:
C18H16N2O2
Molecular Mass:
292.34 g/mol
Names and Synonyms:
1,3-Bis(4-Aminophenoxy)Benzene
Benzenamine, 4,4′-[1,3-phenylenebis(oxy)]bis-
Aniline, 4,4′-(m-phenylenedioxy)di-
4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]
1,3-Phenylene bis(p-aminophenyl) ether
1,3-Bis(4-aminophenoxy)benzene
m-Bis(p-aminophenoxy)benzene
4,4′-(m-Phenylenedioxy)dianiline
TPE-R
RODA
4,4′-[1,3-Phenylenebis(oxy)]dianiline
1,3-Bis(p-aminophenoxy)benzene
4,4′-(1,3-Phenylenedioxy)dianiline
1,3-Bis(4′-aminophenoxy)benzene
[4-[3-(4-Aminophenoxy)phenoxy]phenyl]amine
APB 134
Identifiers:
SMILES:
Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
InChI:
InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2
Key Properties
Melting Point
114-116 °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 | 292.34 g/mol | CAS Common Chemistry |
| 292.338 g/mol | RDKit | |
| 292.121177752 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(N)C=C1)C2=CC=CC(OC3=CC=C(N)C=C3)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WUPRYUDHUFLKFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114-116 °C | CAS Common Chemistry |
| Name | 1,3-Bis(4-aminophenoxy)benzene | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| LogP | 4.435600000000002 | RDKit |
| Molar Refractivity | 88.29880000000001 | RDKit |
