Back to Search
Molecule
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
Identifiers
CAS Registry Number
101-80-4
SMILES
Nc1ccc(Oc2ccc(N)cc2)cc1
InChI Key
HLBLWEWZXPIGSM-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4'-Oxydianiline Synonym
- Benzenamine, 4,4′-oxybis- Synonym
- Aniline, 4,4′-oxydi- Synonym
- 4,4′-Oxybis[benzenamine] Synonym
- 4,4′-Diaminophenyl ether Synonym
- p,p′-Oxydianiline Synonym
- 4,4′-Diaminodiphenyl ether Synonym
- Oxybis(4-aminobenzene) Synonym
- Oxydi-p-phenylenediamine Synonym
- 4,4′-Oxydianiline Synonym
- Bis(4-aminophenyl) ether Synonym
- p,p′-Oxybis[aniline] Synonym
- p,p′-Diaminodiphenyl ether Synonym
- Bis(p-aminophenyl) ether Synonym
- 4,4′-Diaminobiphenyl oxide Synonym
- Oxydianiline Synonym
- 4-Aminophenyl ether Synonym
- 4,4′-Oxybis(aniline) Synonym
- p-Aminophenyl ether Synonym
- 4,4′-Oxydiphenylamine Synonym
- ODA Synonym
- 4,4′-Diaminobiphenyl ether Synonym
- 4,4′-Diaminodiphenyl oxide Synonym
- NSC 37075 Synonym
- NSC 6089 Synonym
- 4-(4-Aminophenoxy)phenylamine Synonym
- DPE Synonym
- DPE (amine) Synonym
- Di(4-aminophenyl) ether Synonym
- 1-Amino-4-(4-aminophenoxy)benzene Synonym
- DDE Synonym
- 4-(4′-Aminophenoxy)benzenamine Synonym
- 4-(4-Aminophenoxy)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.24 g/mol | CAS Common Chemistry |
| 200.241 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 |
| 61.27 Ų | RDKit | |
| LogP | 2.643300000000001 | RDKit |
| 2.6433 | RDKit | |
| Molar Refractivity | 61.782800000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 200.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 200.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12N2O.
3,3′-Diaminodiphenyl Ether
CAS 15268-07-2
1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-
CAS 22042-79-1
2-Amino-3-Benzyloxypyridine
CAS 24016-03-3
3,4′-Diaminodiphenyl Ether
CAS 2657-87-6
2,3,4,5-Tetrahydro-5-Methyl-1H-Pyrido[4,3-B]Indol-1-One
CAS 122852-75-9
Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-
CAS 6123-63-3
