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Molecule
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
Identifiers
CAS Registry Number
104-94-9
SMILES
COc1ccc(N)cc1
InChI Key
BHAAPTBBJKJZER-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Names and Synonyms
- P-Anisidine Common Name
- Benzenamine, 4-methoxy- Synonym
- p-Anisidine Synonym
- 4-Methoxybenzenamine Synonym
- p-Aminoanisole Synonym
- 4-Aminoanisole Synonym
- p-Methoxyphenylamine Synonym
- p-Anisylamine Synonym
- 4-Methoxyaniline Synonym
- p-Anisidine Synonym
- p-Methoxyaniline Synonym
- 1-Amino-4-methoxybenzene Synonym
- p-Aminomethoxybenzene Synonym
- 4-Methoxyphenylamine Synonym
- 1,4-Anisidine Synonym
- 4-Aminomethoxybenzene Synonym
- 4-Methoxylaniline Synonym
- Methyl 4-aminophenyl ether Synonym
- Anisidine Synonym
- NSC 7921 Synonym
- 4-Methoxy-1-aminobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.16 g/mol | CAS Common Chemistry |
| 123.15499999999999 g/mol | RDKit | |
| 123.155 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.071 g/cm3 @ 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 |
| 1.2774 | RDKit | |
| Molar Refractivity | 37.4064 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 123.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 123.16 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO.
