Back to Search
Molecule
2,4-Diaminoanisole
CAS: 615-05-4 · C7H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 615-05-4
- Molecular Formula
- C7H10N2O
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
615-05-4
SMILES
COc1ccc(N)cc1N
InChI Key
BAHPQISAXRFLCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3
Names and Synonyms
- 2,4-Diaminoanisole Systematic Name
- 1,3-Benzenediamine, 4-methoxy- Synonym
- m-Phenylenediamine, 4-methoxy- Synonym
- 4-Methoxy-1,3-benzenediamine Synonym
- C.I. 76050 Synonym
- C.I. Oxidation Base 12 Synonym
- 2,4-Diaminoanisole Synonym
- Furro L Synonym
- Pelagol L Synonym
- Pelagol DA Synonym
- Pelagol Grey L Synonym
- 4-Methoxy-m-phenylenediamine Synonym
- 1,3-Diamino-4-methoxybenzene Synonym
- p-Methoxy-m-phenylenediamine Synonym
- 3-Amino-4-methoxyaniline Synonym
- 2,4-Diaminophenyl methyl ether Synonym
- 4-Methoxy-1,3-phenylenediamine Synonym
- 2,4-Diamino-1-methoxybenzene Synonym
- 1-Methoxy-2,4-diaminobenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| Boiling Point | 221 °C | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(N)C=C1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,8-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BAHPQISAXRFLCL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67-68 °C | CAS Common Chemistry |
| Name | 2,4-Diaminoanisole | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 61.269999999999996 Ų | RDKit |
| 61.27 Ų | RDKit | |
| LogP | 0.8595999999999999 | RDKit |
| 0.8596 | RDKit | |
| Molar Refractivity | 41.8188 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 138.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 138.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2O.
