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Dimethylaniline
CAS: 121-69-7 | C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-69-7
Molecular Formula:
C8H11N
Molecular Mass:
121.18 g/mol
Names and Synonyms:
Dimethylaniline
Benzenamine, N,N-dimethyl-
Aniline, N,N-dimethyl-
N,N-Dimethylbenzenamine
Dimethylaniline
(Dimethylamino)benzene
Dimethylphenylamine
N,N-Dimethylaminobenzene
Versneller NL 63/10
N,N-Dimethylaniline
N,N-Dimethylphenylamine
NL 63-10P
EP 210
NSC 7195
DMA
Accelerator NL 63-100
Identifiers:
SMILES:
CN(C)c1ccccc1
InChI:
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
Key Properties
Boiling Point
193.54 °C
CAS Common Chemistry
Melting Point
2.50 °C
CAS Common Chemistry
Density
0.96 g/cm³
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 | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999995 g/mol | RDKit | |
| 121.08914935199999 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.956 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylaniline | CAS Common Chemistry |
| Boiling Point | 193.54 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLTDJTHDQAWBAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2.50 °C | CAS Common Chemistry |
| Name | N,N-Dimethylaniline | CAS Common Chemistry |
| Dimethylaniline | CAS Common Chemistry | |
| Heavy Atom Count | 9 | 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 | 1.7526 | RDKit |
| Molar Refractivity | 40.76900000000002 | RDKit |
