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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 Weight:
135.20999999999995 g/mol
Names and Synonyms:
2-Ethyl-6-Methylaniline
Benzenamine, 2-ethyl-6-methyl-
o-Toluidine, 6-ethyl-
2-Ethyl-6-methylbenzenamine
2-Methyl-6-ethylaniline
2-Ethyl-6-methylaniline
6-Ethyl-o-toluidine
6-Ethyl-2-methylaniline
C 25702
(2-Ethyl-6-methylphenyl)amine
Identifiers:
SMILES:
CCc1cccc(C)c1N
InChI:
InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.20999999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.104799416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.13962 | RDKit |
| molecular_mass | 135.21 g/mol | Legacy Database |
| cas-boiling-point | 231 °C None | Legacy Database |
| cas-canonical-smile | NC=1C(=CC=CC1CC)C None | Legacy Database |
| cas-inchi | InChI=1S/C9H13N/c1-3-8-6-4-5-7(2)9(8)10/h4-6H,3,10H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JJVKJJNCIILLRP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -33 °C None | Legacy Database |
| cas-name | 2-Ethyl-6-methylaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.96940000000002 | RDKit |
