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P-Anisidine
CAS: 104-94-9 | C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
104-94-9
Molecular Formula:
C7H9NO
Molecular Mass:
123.16 g/mol
Names and Synonyms:
P-Anisidine
Benzenamine, 4-methoxy-
p-Anisidine
4-Methoxybenzenamine
p-Aminoanisole
4-Aminoanisole
p-Methoxyphenylamine
p-Anisylamine
4-Methoxyaniline
p-Anisidine
p-Methoxyaniline
1-Amino-4-methoxybenzene
p-Aminomethoxybenzene
4-Methoxyphenylamine
1,4-Anisidine
4-Aminomethoxybenzene
4-Methoxylaniline
Methyl 4-aminophenyl ether
Anisidine
NSC 7921
4-Methoxy-1-aminobenzene
Identifiers:
SMILES:
COc1ccc(N)cc1
InChI:
InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Key Properties
Boiling Point
243 °C
CAS Common Chemistry
Melting Point
57.2 °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 | 123.16 g/mol | CAS Common Chemistry |
| 123.15499999999999 g/mol | RDKit | |
| 123.068413908 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.071 g/cm3 @ Temp: 57 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/P-Anisidine | CAS Common Chemistry |
| Boiling Point | 243 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BHAAPTBBJKJZER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57.2 °C | CAS Common Chemistry |
| Name | 4-Methoxyaniline | CAS Common Chemistry |
| p-Anisidine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | 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 | 1.2773999999999999 | RDKit |
| Molar Refractivity | 37.4064 | RDKit |
