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Molecule
4-Methoxy-N,N-Dimethylbenzenamine
CAS: 701-56-4 · C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 701-56-4
- Molecular Formula
- C9H13NO
- Molecular Mass
- 151.21 g/mol
Identifiers
CAS Registry Number
701-56-4
SMILES
COc1ccc(N(C)C)cc1
InChI Key
ZTKDMNHEQMILPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3
Names and Synonyms
- 4-Methoxy-N,N-Dimethylbenzenamine Systematic Name
- Benzenamine, 4-methoxy-N,N-dimethyl- Synonym
- p-Anisidine, N,N-dimethyl- Synonym
- 4-Methoxy-N,N-dimethylbenzenamine Synonym
- N,N-Dimethyl-p-anisidine Synonym
- p-(Dimethylamino)anisole Synonym
- p-Methoxy-N,N-dimethylaniline Synonym
- 4-Methoxy-N,N-dimethylaniline Synonym
- N,N-Dimethyl-4-methoxyaniline Synonym
- 4-(Dimethylamino)methoxybenzene Synonym
- N,N-Dimethyl-p-methoxyaniline Synonym
- 4-(N,N′-Dimethylamino)methoxybenzene Synonym
- 4-Dimethylaminoanisole Synonym
- NSC 86670 Synonym
- N,N-Dimethylanisidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.21 g/mol | CAS Common Chemistry |
| 151.209 g/mol | RDKit | |
| Boiling Point | 237 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1)N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZTKDMNHEQMILPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48 °C | CAS Common Chemistry |
| Name | 4-Methoxy-N,N-dimethylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| 12.24 Ų | chempirical lib | |
| LogP | 1.7611999999999999 | RDKit |
| 1.7612 | RDKit | |
| 1.79 | chempirical lib | |
| Molar Refractivity | 47.321000000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 151.099714036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 151.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13NO.
