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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 Mass:
146.19 g/mol
Names and Synonyms:
4-(Dimethylamino)Benzonitrile
Benzonitrile, 4-(dimethylamino)-
Benzonitrile, p-(dimethylamino)-
4-(Dimethylamino)benzonitrile
4-(Dimethylamino)benzenecarbonitrile
N,N-Dimethyl-p-cyanoaniline
p-Cyano-N,N-dimethylaniline
p-(Dimethylamino)benzonitrile
1-(Dimethylamino)-4-cyanobenzene
N,N-Dimethyl-4-cyanoaniline
4-Cyano-N,N-dimethylaniline
DMABN
1-Cyano-4-(dimethylamino)benzene
4-(Dimethylamino)benzenenitrile
NSC 409122
4-Dimethylaminophenylnitrile
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
Key Properties
Boiling Point
318 °C
CAS Common Chemistry
Melting Point
74 °C
CAS Common Chemistry
Density
1.14 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.19299999999998 g/mol | RDKit | |
| 146.08439832 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.139 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 318 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JYMNQRQQBJIMCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 74 °C | CAS Common Chemistry |
| Name | 4-(Dimethylamino)benzonitrile | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.03 Ų | RDKit |
| LogP | 1.62428 | RDKit |
| Molar Refractivity | 45.48400000000002 | RDKit |
