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Molecule
1,3-Bis(3-Aminophenoxy)Benzene
CAS: 10526-07-5 · C18H16N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10526-07-5
- Molecular Formula
- C18H16N2O2
- Molecular Mass
- 292.34 g/mol
Identifiers
CAS Registry Number
10526-07-5
SMILES
Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1
InChI Key
DKKYOQYISDAQER-UHFFFAOYSA-N
InChI
InChI=1S/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2
Names and Synonyms
- 1,3-Bis(3-Aminophenoxy)Benzene Synonym
- Benzenamine, 3,3′-[1,3-phenylenebis(oxy)]bis- Synonym
- Aniline, 3,3′-(m-phenylenedioxy)di- Synonym
- 3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine] Synonym
- 3,3′-(m-Phenylenedioxy)dianiline Synonym
- 1,3-Bis(3-aminophenoxy)benzene Synonym
- 1,3-Bis(m-aminophenoxy)benzene Synonym
- 3,3′-[1,3-Phenylenebis(oxy)]bis[aniline] Synonym
- 3,3′-[m-Phenylenebis(oxy)]dianiline Synonym
- APB Synonym
- APB-N Synonym
- APB 133 Synonym
- 3,3′-(1,3-Phenylenebis(oxy))dianiline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.34 g/mol | CAS Common Chemistry |
| 292.338 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=CC(OC2=CC=CC(N)=C2)=C1)C3=CC=CC(N)=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DKKYOQYISDAQER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108 °C | CAS Common Chemistry |
| Name | 1,3-Bis(3-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 |
| 4.4356 | RDKit | |
| Molar Refractivity | 88.29880000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 292.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 292.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H16N2O2.
