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Dimethylaminopropionitrile
CAS: 1738-25-6 | C5H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1738-25-6
Molecular Formula:
C5H10N2
Molecular Mass:
98.15 g/mol
Names and Synonyms:
Dimethylaminopropionitrile
Propanenitrile, 3-(dimethylamino)-
Propionitrile, 3-(dimethylamino)-
3-(Dimethylamino)propanenitrile
β-(Dimethylamino)propionitrile
β-N-Dimethylaminopropionitrile
N,N-Dimethylamino-3-propionitrile
3-(N,N-Dimethylamino)propionitrile
Dimethylaminopropionitrile
DMAPN
3-(Dimethylamino)propionitrile
N,N-Dimethyl-2-cyanoethylamine
NSC 232
3-Dimethylaminopropiononitrile
Identifiers:
SMILES:
CN(C)CCC#N
InChI:
InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
Key Properties
Boiling Point
173 °C
CAS Common Chemistry
Melting Point
-44.2 °C
CAS Common Chemistry
Density
0.87 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 | 98.15 g/mol | CAS Common Chemistry |
| 98.149 g/mol | RDKit | |
| 98.08439831999999 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8705 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 173 °C | CAS Common Chemistry |
| Canonical SMILES | N#CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MTPJEFOSTIKRSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -44.2 °C | CAS Common Chemistry |
| Name | Dimethylaminopropionitrile | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.03 Ų | RDKit |
| LogP | 0.46168 | RDKit |
| Molar Refractivity | 28.78399999999999 | RDKit |
