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Diethylaniline
CAS: 91-66-7 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
91-66-7
Molecular Formula:
C10H15N
Molecular Weight:
149.237 g/mol
Names and Synonyms:
Diethylaniline
Benzenamine, N,N-diethyl-
Aniline, N,N-diethyl-
N,N-Diethylbenzenamine
N,N-Diethylaminobenzene
Diethylaniline
Diethylphenylamine
N,N-Diethylaniline
DEA
(Diethylamino)benzene
NSC 7205
NL 64-10P
N-Phenyldiethylamine
Identifiers:
SMILES:
CCN(CC)c1ccccc1
InChI:
InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.24 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diethylaniline None | Legacy Database |
| cas-boiling-point | 216.3 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)N(CC)CC None | Legacy Database |
| cas-density | 0.9307 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GGSUCNLOZRCGPQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -38.8 °C None | Legacy Database |
| cas-name | N,N-Diethylaniline None | Legacy Database |
| wikipedia-name | Diethylaniline None | Legacy Database |
| LogP | 2.532800000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.237 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.12044948 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 50.003000000000036 | RDKit |
