Back to Search
Molecule
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
Identifiers
CAS Registry Number
13021-15-3
SMILES
Cc1cc(C)c(N(C)C)c(C)c1
InChI Key
JZBZLRKFJWQZHU-UHFFFAOYSA-N
InChI
InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3
Names and Synonyms
- N,N,2,4,6-Pentamethylbenzenamine Systematic Name
- Benzenamine, N,N,2,4,6-pentamethyl- Synonym
- Aniline, N,N,2,4,6-pentamethyl- Synonym
- N,N,2,4,6-Pentamethylbenzenamine Synonym
- N,N-Dimethylmesidine Synonym
- N,N,2,4,6-Pentamethylaniline Synonym
- 2,4,6,N,N-Pentamethylaniline Synonym
- 2-(Dimethylamino)mesitylene Synonym
- NSC 243164 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.26 g/mol | CAS Common Chemistry |
| 163.264 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 2.677860000000001 | RDKit |
| 2.6779 | RDKit | |
| 2.86 | chempirical lib | |
| Molar Refractivity | 54.98000000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4545 | RDKit |
| 0.45 | chempirical lib | |
| Exact Mass | 163.136099544 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 = 163.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H17N.
