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Molecule
2,2′-[1,2-Ethanediylbis(Oxy)]Bis[Benzenamine]
CAS: 52411-34-4 · C14H16N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52411-34-4
- Molecular Formula
- C14H16N2O2
- Molecular Mass
- 244.29 g/mol
Identifiers
CAS Registry Number
52411-34-4
SMILES
Nc1ccccc1OCCOc1ccccc1N
InChI Key
PSDFQEVOCCOOET-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
Names and Synonyms
- 2,2′-[1,2-Ethanediylbis(Oxy)]Bis[Benzenamine] Systematic Name
- Benzenamine, 2,2′-[1,2-ethanediylbis(oxy)]bis- Synonym
- Aniline, 2,2′-(ethylenedioxy)di- Synonym
- 2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine] Synonym
- 1,2-Bis[2-aminophenoxy]ethane Synonym
- 2,2′-(Ethylenedioxy)dianiline Synonym
- 1,2-Bis(o-aminophenoxy)ethane Synonym
- 1,2,7,8-Dibenzo-1,8-diamino-3,6-dioxaoctane Synonym
- 1,2-Di(o-aminophenoxy)ethane Synonym
- 2-[2-(2-Aminophenoxy)ethoxy]aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.29 g/mol | CAS Common Chemistry |
| 244.29399999999998 g/mol | RDKit | |
| 244.294 g/mol | RDKit | |
| Canonical SMILES | O(C=1C=CC=CC1N)CCOC=2C=CC=CC2N | CAS Common Chemistry |
| InChI | InChI=1S/C14H16N2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PSDFQEVOCCOOET-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C | CAS Common Chemistry |
| Name | 2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine] | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.5 Ų | RDKit |
| LogP | 2.3088 | RDKit |
| Molar Refractivity | 72.69880000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 244.121177752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 244.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H16N2O2.
