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N-Ethyl-M-Toluidine
CAS: 102-27-2 | C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-27-2
Molecular Formula:
C9H13N
Molecular Mass:
135.21 g/mol
Names and Synonyms:
N-Ethyl-M-Toluidine
Benzenamine, N-ethyl-3-methyl-
m-Toluidine, N-ethyl-
N-Ethyl-3-methylbenzenamine
N-Ethyl-3-methylaniline
3-Methyl-N-ethylaniline
N-Ethyl-m-toluidine
NSC 8624
N-Ethyl(3-methylphenyl)amine
Identifiers:
SMILES:
CCNc1cccc(C)c1
InChI:
InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
Key Properties
Boiling Point
221 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| 135.20999999999998 g/mol | RDKit | |
| 135.104799416 g/mol | RDKit | |
| Boiling Point | 221 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=C(C1)C)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GUYMMHOQXYZMJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-m-toluidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.42682 | RDKit |
| Molar Refractivity | 45.34270000000002 | RDKit |
