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2,4-Dimethoxyaniline
CAS: 2735-04-8 | C8H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2735-04-8
Molecular Formula:
C8H11NO2
Molecular Weight:
153.181 g/mol
Names and Synonyms:
2,4-Dimethoxyaniline
NSC 62019
1-Amino-2,4-dimethoxybenzene
2,4-Dimethoxyphenylamine
2,4-Dimethoxyaniline
2,4-Dimethoxybenzenamine
Aniline, 2,4-dimethoxy-
Benzenamine, 2,4-dimethoxy-
Identifiers:
SMILES:
COc1ccc(N)c(OC)c1
InChI:
InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.18 g/mol | Legacy Database |
| cas-boiling-point | 144 °C @ Press: 20 Torr | Legacy Database | |
| cas-canonical-smile | O(C1=CC=C(N)C(OC)=C1)C | Legacy Database | |
| cas-inchi | InChI=1S/C8H11NO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,9H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=GEQNZVKIDIPGCO-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 33.5 °C | Legacy Database | |
| cas-name | 2,4-Dimethoxyaniline | Legacy Database | |
| LogP | 1.2859999999999998 | RDKit | |
| Exact | Exact Molecular Weight | 153.078978592 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| Molar | Molar Refractivity | 43.95840000000001 | RDKit |
| Molecular | Molecular Weight | 153.181 g/mol | RDKit |
