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4-Methoxy-N-Methylbenzenamine
CAS: 5961-59-1 | C8H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5961-59-1
Molecular Formula:
C8H11NO
Molecular Weight:
137.182 g/mol
Names and Synonyms:
4-Methoxy-N-Methylbenzenamine
Benzenamine, 4-methoxy-N-methyl-
p-Anisidine, N-methyl-
4-Methoxy-N-methylbenzenamine
N-Methyl-p-anisidine
p-Methoxy-N-methylaniline
4-Methoxy-N-methylaniline
N-Methyl-4-methoxyaniline
p-Methoxy-N-methylaminobenzene
N-Methyl-4-anisidine
N-Methyl-p-methoxyaniline
N-Methyl-4-methoxybenzenamine
4-(Methylamino)anisole
N-(4-Methoxyphenyl)-N-methylamine
NSC 159085
N-(4-Methoxyphenyl)methylamine
N-Methyl-N-(4-methoxyphenyl)amine
Identifiers:
SMILES:
CNc1ccc(OC)cc1
InChI:
InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 137.18 g/mol | Legacy Database |
| cas-boiling-point | 111-113 °C @ Press: 9 Torr None | Legacy Database |
| cas-canonical-smile | O(C1=CC=C(C=C1)NC)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H11NO/c1-9-7-3-5-8(10-2)6-4-7/h3-6,9H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JFXDIXYFXDOZIT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 37 °C None | Legacy Database |
| cas-name | 4-Methoxy-N-methylbenzenamine None | Legacy Database |
| LogP | 1.7368999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.182 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.54070000000002 | RDKit |
