Back to Search
N,N-Diethyl-P-Toluidine
CAS: 613-48-9 | C11H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
613-48-9
Molecular Formula:
C11H17N
Molecular Mass:
163.26 g/mol
Names and Synonyms:
N,N-Diethyl-P-Toluidine
Benzenamine, N,N-diethyl-4-methyl-
p-Toluidine, N,N-diethyl-
N,N-Diethyl-4-methylbenzenamine
N,N-Diethyl-4-methylaniline
N,N-Diethyl-p-toluidine
p-Methyl-N,N-diethylaniline
4-(Diethylamino)toluene
4-Methyl-N,N-diethylaniline
N,N-Diethyl-p-methylaniline
NSC 8709
Identifiers:
SMILES:
CCN(CC)c1ccc(C)cc1
InChI:
InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
Key Properties
Boiling Point
229 °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 | 163.26 g/mol | CAS Common Chemistry |
| 163.26399999999998 g/mol | RDKit | |
| 163.136099544 g/mol | RDKit | |
| Boiling Point | 229 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1N(CC)CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HKJNHYJTVPWVGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyl-p-toluidine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.8412200000000007 | RDKit |
| Molar Refractivity | 54.74000000000004 | RDKit |
