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2,5-Dimethoxyaniline
CAS: 102-56-7 | C8H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-56-7
Molecular Formula:
C8H11NO2
Molecular Mass:
153.18 g/mol
Names and Synonyms:
2,5-Dimethoxyaniline
Benzenamine, 2,5-dimethoxy-
Aniline, 2,5-dimethoxy-
2,5-Dimethoxybenzenamine
C.I. 35811
Aminohydroquinone dimethyl ether
2,5-Dimethoxyaniline
1-Amino-2,5-dimethoxybenzene
NSC 4138
2,5-Dimethoxyphenylamine
2,5-Dimethoxylaniline
2-Methoxy-5-methoxyaniline
Identifiers:
SMILES:
COc1ccc(OC)c(N)c1
InChI:
InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
Key Properties
Boiling Point
270 °C
CAS Common Chemistry
Melting Point
82.5 °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 | 153.18 g/mol | CAS Common Chemistry |
| 153.18099999999998 g/mol | RDKit | |
| 153.078978592 g/mol | RDKit | |
| Boiling Point | 270 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(OC)C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NAZDVUBIEPVUKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82.5 °C | CAS Common Chemistry |
| Name | 2,5-Dimethoxyaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 1.286 | RDKit |
| Molar Refractivity | 43.95840000000002 | RDKit |
