Back to Search
4-(Dimethylamino)Benzonitrile
CAS: 1197-19-9 | C9H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1197-19-9
Molecular Formula:
C9H10N2
Molecular Weight:
146.19299999999998 g/mol
Names and Synonyms:
4-(Dimethylamino)Benzonitrile
4-Dimethylaminophenylnitrile
NSC 409122
4-(Dimethylamino)benzenenitrile
1-Cyano-4-(dimethylamino)benzene
DMABN
4-Cyano-N,N-dimethylaniline
N,N-Dimethyl-4-cyanoaniline
1-(Dimethylamino)-4-cyanobenzene
p-(Dimethylamino)benzonitrile
p-Cyano-N,N-dimethylaniline
N,N-Dimethyl-p-cyanoaniline
4-(Dimethylamino)benzenecarbonitrile
4-(Dimethylamino)benzonitrile
Benzonitrile, p-(dimethylamino)-
Benzonitrile, 4-(dimethylamino)-
Identifiers:
SMILES:
CN(C)c1ccc(C#N)cc1
InChI:
InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,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 | 146.19 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database |
| cas-boiling-point | 318 °C None | Legacy Database |
| cas-canonical-smile | N#CC1=CC=C(C=C1)N(C)C None | Legacy Database |
| cas-density | 1.139 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JYMNQRQQBJIMCV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 74 °C None | Legacy Database |
| cas-name | 4-(Dimethylamino)benzonitrile None | Legacy Database |
| LogP | 1.62428 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.19299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.08439832 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 27.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.48400000000002 | RDKit |
