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Molecule
O-Anisidine
CAS: 90-04-0 · C7H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-04-0
- Molecular Formula
- C7H9NO
- Molecular Mass
- 123.16 g/mol
Identifiers
CAS Registry Number
90-04-0
SMILES
COc1ccccc1N
InChI Key
VMPITZXILSNTON-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
Names and Synonyms
- O-Anisidine Synonym
- Benzenamine, 2-methoxy- Synonym
- o-Anisidine Synonym
- 2-Methoxybenzenamine Synonym
- o-Aminoanisole Synonym
- 2-Aminoanisole Synonym
- 2-Methoxyaniline Synonym
- o-Methoxyaniline Synonym
- o-Methoxyphenylamine Synonym
- 1-Amino-2-methoxybenzene Synonym
- 2-Methoxy-1-aminobenzene Synonym
- o-Aminomethoxybenzene Synonym
- 2-Methoxyphenylamine Synonym
- 2-Aminomethoxybenzene Synonym
- NSC 3122 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 | 1.10 g/cm³ | CAS Common Chemistry |
| 1.098 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/O-Anisidine | CAS Common Chemistry |
| Boiling Point | 225 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VMPITZXILSNTON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5 °C | CAS Common Chemistry |
| Name | 2-Methoxyaniline | 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
8
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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.
External Resources
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Quick conversion
MW = 123.16 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO.
