Back to Search
Molecule
2-Ethyl-6-Methylaniline
CAS: 24549-06-2 · C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24549-06-2
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
24549-06-2
SMILES
CCc1cccc(C)c1N
InChI Key
JJVKJJNCIILLRP-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3
Names and Synonyms
- 2-Ethyl-6-Methylaniline Synonym
- Benzenamine, 2-ethyl-6-methyl- Synonym
- o-Toluidine, 6-ethyl- Synonym
- 2-Ethyl-6-methylbenzenamine Synonym
- 2-Methyl-6-ethylaniline Synonym
- 2-Ethyl-6-methylaniline Synonym
- 6-Ethyl-o-toluidine Synonym
- 6-Ethyl-2-methylaniline Synonym
- C 25702 Synonym
- (2-Ethyl-6-methylphenyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| InChI Key | InChIKey=JJVKJJNCIILLRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -33 °C | CAS Common Chemistry |
| Name | 2-Ethyl-6-methylaniline | CAS Common Chemistry |
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| 135.20999999999995 g/mol | RDKit | |
| Boiling Point | 231 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C(=CC=CC1CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3 | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.13962 | RDKit |
| 2.1396 | RDKit | |
| 2.08 | chempirical lib | |
| Molar Refractivity | 44.96940000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 135.104799416 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 = 135.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
