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4-Methoxy-2-Methylaniline
CAS: 102-50-1 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-50-1
Molecular Formula:
C8H11NO
Molecular Mass:
137.18 g/mol
Names and Synonyms:
4-Methoxy-2-Methylaniline
Benzenamine, 4-methoxy-2-methyl-
p-Anisidine, 2-methyl-
4-Methoxy-2-methylbenzenamine
4-Methoxy-2-methylaniline
2-Methyl-4-methoxyaniline
2-Methyl-p-anisidine
2-Amino-5-methoxytoluene
m-Cresidine
2-Methyl-4-anisidine
2-Methyl-4-methoxybenzenamine
NSC 66563
4-Methoxy-o-toluidine
2-Methyl-4-(methyloxy)aniline
[2-Methyl-4-(methyloxy)phenyl]amine
3-Methyl-4-aminophenol methyl ether
Identifiers:
SMILES:
COc1ccc(N)c(C)c1
InChI:
InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
Key Properties
Boiling Point
248.5 °C
CAS Common Chemistry
Melting Point
29.5 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | 137.18 g/mol | CAS Common Chemistry |
| 137.18200000000002 g/mol | RDKit | |
| 137.084063972 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.065 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 248.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(N)C(=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CDGNLUSBENXDGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29.5 °C | CAS Common Chemistry |
| Name | 4-Methoxy-2-methylaniline | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.5858199999999998 | RDKit |
| Molar Refractivity | 42.14340000000001 | RDKit |
