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N,N,2,4,6-Pentamethylbenzenamine
CAS: 13021-15-3 | C11H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13021-15-3
Molecular Formula:
C11H17N
Molecular Mass:
163.26 g/mol
Names and Synonyms:
N,N,2,4,6-Pentamethylbenzenamine
Benzenamine, N,N,2,4,6-pentamethyl-
Aniline, N,N,2,4,6-pentamethyl-
N,N,2,4,6-Pentamethylbenzenamine
N,N-Dimethylmesidine
N,N,2,4,6-Pentamethylaniline
2,4,6,N,N-Pentamethylaniline
2-(Dimethylamino)mesitylene
NSC 243164
Identifiers:
SMILES:
Cc1cc(C)c(N(C)C)c(C)c1
InChI:
InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3
Key Properties
Boiling Point
214 °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 |
| 163.264 g/mol | RDKit | |
| 163.136099544 g/mol | RDKit | |
| Boiling Point | 214 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C(=CC(=C(C1C)N(C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZBZLRKFJWQZHU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,2,4,6-Pentamethylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.677860000000001 | RDKit |
| Molar Refractivity | 54.98000000000004 | RDKit |
