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4,4'-Oxydianiline
CAS: 101-80-4 | C12H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-80-4
Molecular Formula:
C12H12N2O
Molecular Mass:
200.24 g/mol
Names and Synonyms:
4,4'-Oxydianiline
Benzenamine, 4,4′-oxybis-
Aniline, 4,4′-oxydi-
4,4′-Oxybis[benzenamine]
4,4′-Diaminophenyl ether
p,p′-Oxydianiline
4,4′-Diaminodiphenyl ether
Oxybis(4-aminobenzene)
Oxydi-p-phenylenediamine
4,4′-Oxydianiline
Bis(4-aminophenyl) ether
p,p′-Oxybis[aniline]
p,p′-Diaminodiphenyl ether
Bis(p-aminophenyl) ether
4,4′-Diaminobiphenyl oxide
Oxydianiline
4-Aminophenyl ether
4,4′-Oxybis(aniline)
p-Aminophenyl ether
4,4′-Oxydiphenylamine
ODA
4,4′-Diaminobiphenyl ether
4,4′-Diaminodiphenyl oxide
NSC 37075
NSC 6089
4-(4-Aminophenoxy)phenylamine
DPE
DPE (amine)
Di(4-aminophenyl) ether
1-Amino-4-(4-aminophenoxy)benzene
DDE
4-(4′-Aminophenoxy)benzenamine
4-(4-Aminophenoxy)aniline
Identifiers:
SMILES:
Nc1ccc(Oc2ccc(N)cc2)cc1
InChI:
InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
Key Properties
Boiling Point
>300 °C
CAS Common Chemistry
Melting Point
186-187 °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 | 200.24 g/mol | CAS Common Chemistry |
| 200.241 g/mol | RDKit | |
| 200.094963004 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Oxydianiline | CAS Common Chemistry |
| Boiling Point | >300 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(N)C=C1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HLBLWEWZXPIGSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186-187 °C | CAS Common Chemistry |
| Name | 4,4′-Diaminodiphenyl ether | CAS Common Chemistry |
| 4,4'-Oxydianiline | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 61.269999999999996 Ų | RDKit |
| LogP | 2.643300000000001 | RDKit |
| Molar Refractivity | 61.782800000000016 | RDKit |
