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Molecule
3,4-Dimethoxyaniline
CAS: 6315-89-5 · C8H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6315-89-5
- Molecular Formula
- C8H11NO2
- Molecular Mass
- 153.18 g/mol
Identifiers
CAS Registry Number
6315-89-5
SMILES
COc1ccc(N)cc1OC
InChI Key
LGDHZCLREKIGKJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
Names and Synonyms
- 3,4-Dimethoxyaniline Systematic Name
- Benzenamine, 3,4-dimethoxy- Synonym
- Aniline, 3,4-dimethoxy- Synonym
- 3,4-Dimethoxybenzenamine Synonym
- 3,4-Dimethoxyaniline Synonym
- 4-Aminoveratrole Synonym
- 2-Methoxy-4-aminoanisole Synonym
- 4-Aminoveratrol Synonym
- 3,4-Dimethoxyphenylamine Synonym
- 4-Amino-1,2-dimethoxybenzene Synonym
- NSC 21033 Synonym
- 3,4-Bis(methoxy)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.18 g/mol | CAS Common Chemistry |
| 153.18099999999998 g/mol | RDKit | |
| 153.181 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(N)C=C1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LGDHZCLREKIGKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85 °C | CAS Common Chemistry |
| Name | 3,4-Dimethoxyaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| 44.48 Ų | RDKit | |
| LogP | 1.2859999999999998 | RDKit |
| 1.286 | RDKit | |
| Molar Refractivity | 43.95840000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 153.078978592 g/mol | RDKit |
| Boiling Point | 160 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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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 = 153.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11NO2.
