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Molecule
Dimethylaniline
CAS: 121-69-7 · C8H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 121-69-7
- Molecular Formula
- C8H11N
- Molecular Mass
- 121.18 g/mol
Identifiers
CAS Registry Number
121-69-7
SMILES
CN(C)c1ccccc1
InChI Key
JLTDJTHDQAWBAV-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
Names and Synonyms
- Dimethylaniline Synonym
- Benzenamine, N,N-dimethyl- Synonym
- Aniline, N,N-dimethyl- Synonym
- N,N-Dimethylbenzenamine Synonym
- Dimethylaniline Synonym
- (Dimethylamino)benzene Synonym
- Dimethylphenylamine Synonym
- N,N-Dimethylaminobenzene Synonym
- Versneller NL 63/10 Synonym
- N,N-Dimethylaniline Synonym
- N,N-Dimethylphenylamine Synonym
- NL 63-10P Synonym
- EP 210 Synonym
- NSC 7195 Synonym
- DMA Synonym
- Accelerator NL 63-100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999995 g/mol | RDKit | |
| 121.183 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.956 g/cm3 @ 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 |
| 3.01 Ų | chempirical lib | |
| LogP | 1.7526 | RDKit |
| 1.69 | chempirical lib | |
| Molar Refractivity | 40.76900000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 121.08914935199999 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
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Quick conversion
MW = 121.18 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
