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Molecule
Diethylaniline
CAS: 91-66-7 · C10H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 91-66-7
- Molecular Formula
- C10H15N
- Molecular Mass
- 149.24 g/mol
Identifiers
CAS Registry Number
91-66-7
SMILES
CCN(CC)c1ccccc1
InChI Key
GGSUCNLOZRCGPQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
Names and Synonyms
- Diethylaniline Synonym
- Benzenamine, N,N-diethyl- Synonym
- Aniline, N,N-diethyl- Synonym
- N,N-Diethylbenzenamine Synonym
- N,N-Diethylaminobenzene Synonym
- Diethylaniline Synonym
- Diethylphenylamine Synonym
- N,N-Diethylaniline Synonym
- DEA Synonym
- (Diethylamino)benzene Synonym
- NSC 7205 Synonym
- NL 64-10P Synonym
- N-Phenyldiethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.24 g/mol | CAS Common Chemistry |
| 149.237 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9307 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylaniline | CAS Common Chemistry |
| Boiling Point | 216.3 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GGSUCNLOZRCGPQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -38.8 °C | CAS Common Chemistry |
| Name | N,N-Diethylaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.532800000000001 | RDKit |
| 2.5328 | RDKit | |
| 2.47 | chempirical lib | |
| Molar Refractivity | 50.003000000000036 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 149.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 149.24 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N.
