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DMA
CAS: 121-69-7 | C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-69-7
Molecular Formula:
C8H11N
Molecular Weight:
121.18299999999995 g/mol
Names and Synonyms:
DMA
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
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.18299999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 121.08914935199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7526 | RDKit |
| molecular_mass | 121.18 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethylaniline None | Legacy Database |
| cas-boiling-point | 193.54 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)N(C)C None | Legacy Database |
| cas-density | 0.956 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JLTDJTHDQAWBAV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 2.50 °C None | Legacy Database |
| cas-name | N,N-Dimethylaniline None | Legacy Database |
| wikipedia-name | Dimethylaniline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.76900000000002 | RDKit |
