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N,N,3,5-Tetramethylaniline
CAS: 4913-13-7 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4913-13-7
Molecular Formula:
C10H15N
Molecular Mass:
149.24 g/mol
Names and Synonyms:
N,N,3,5-Tetramethylaniline
Benzenamine, N,N,3,5-tetramethyl-
3,5-Xylidine, N,N-dimethyl-
N,N,3,5-Tetramethylbenzenamine
N,N,3,5-Tetramethylaniline
3,5-Dimethyl-N,N-dimethylaniline
3,5,N,N-Tetramethylaniline
(3,5-Dimethylphenyl)dimethylamine
D 7924
N,N-Dimethyl-3,5-xylidine
Identifiers:
SMILES:
Cc1cc(C)cc(N(C)C)c1
InChI:
InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
Key Properties
Boiling Point
101-103 °C @ Press: 18 Torr
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 | 149.24 g/mol | CAS Common Chemistry |
| 149.237 g/mol | RDKit | |
| 149.12044948 g/mol | RDKit | |
| Boiling Point | 101-103 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C(=CC(=CC1C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NBFRQCOZERNGEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,3,5-Tetramethylaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.36944 | RDKit |
| Molar Refractivity | 50.24300000000003 | RDKit |
