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2,2′-[1,2-Ethanediylbis(Oxy)]Bis[Benzenamine]
CAS: 52411-34-4 | C14H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52411-34-4
Molecular Formula:
C14H16N2O2
Molecular Mass:
244.29 g/mol
Names and Synonyms:
2,2′-[1,2-Ethanediylbis(Oxy)]Bis[Benzenamine]
Benzenamine, 2,2′-[1,2-ethanediylbis(oxy)]bis-
Aniline, 2,2′-(ethylenedioxy)di-
2,2′-[1,2-Ethanediylbis(oxy)]bis[benzenamine]
1,2-Bis[2-aminophenoxy]ethane
2,2′-(Ethylenedioxy)dianiline
1,2-Bis(o-aminophenoxy)ethane
1,2,7,8-Dibenzo-1,8-diamino-3,6-dioxaoctane
1,2-Di(o-aminophenoxy)ethane
2-[2-(2-Aminophenoxy)ethoxy]aniline
Identifiers:
SMILES:
Nc1ccccc1OCCOc1ccccc1N
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
Key Properties
Melting Point
131-132 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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80
60
40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.29 g/mol | CAS Common Chemistry |
| 244.29399999999998 g/mol | RDKit | |
| 244.121177752 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 | RDKit |
