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2-Methoxy-3-Dibenzofuranamine
CAS: 5834-17-3 | C13H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5834-17-3
Molecular Formula:
C13H11NO2
Molecular Mass:
213.24 g/mol
Names and Synonyms:
2-Methoxy-3-Dibenzofuranamine
3-Dibenzofuranamine, 2-methoxy-
2-Methoxy-3-dibenzofuranamine
3-Amino-2-methoxydibenzofuran
2-Methoxy-3-aminodibenzofuran
(2-Methoxydibenzofuran-3-yl)amine
3-Amino-2-methoxybenzofuran
2-Methoxydibenzo[b,d]furan-3-amine
Identifiers:
SMILES:
COc1cc2c(cc1N)oc1ccccc12
InChI:
InChI=1S/C13H11NO2/c1-15-13-6-9-8-4-2-3-5-11(8)16-12(9)7-10(13)14/h2-7H,14H2,1H3
Key Properties
Melting Point
93 °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 | 213.24 g/mol | CAS Common Chemistry |
| 213.23600000000002 g/mol | RDKit | |
| 213.078978592 g/mol | RDKit | |
| Canonical SMILES | O1C=2C=CC=CC2C=3C=C(OC)C(N)=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO2/c1-15-13-6-9-8-4-2-3-5-11(8)16-12(9)7-10(13)14/h2-7H,14H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SGQVWNYSHWQNOS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | 2-Methoxy-3-dibenzofuranamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 48.39 Ų | RDKit |
| LogP | 3.176800000000001 | RDKit |
| Molar Refractivity | 64.68440000000002 | RDKit |