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Dimethylcyanamide
CAS: 1467-79-4 | C3H6N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1467-79-4
Molecular Formula:
C3H6N2
Molecular Mass:
70.10 g/mol
Names and Synonyms:
Dimethylcyanamide
Cyanamide, N,N-dimethyl-
Cyanamide, dimethyl-
N,N-Dimethylcyanamide
Dimethylcyanamide
N-Cyano-N-methylmethanamine
Cyanodimethylamine
Dimethylaminocarbonitrile
N-Cyanodimethylamine
NSC 7765
N,N-Dimethylcyanoamine
Identifiers:
SMILES:
CN(C)C#N
InChI:
InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
Key Properties
Boiling Point
163.5 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-41.0 °C
CAS Common Chemistry
Density
0.88 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 | 70.10 g/mol | CAS Common Chemistry |
| 70.095 g/mol | RDKit | |
| 70.053098192 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.876 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 163.5 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OAGOUCJGXNLJNL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -41.0 °C | CAS Common Chemistry |
| Name | Dimethylcyanamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.03 Ų | RDKit |
| LogP | 0.029079999999999995 | RDKit |
| Molar Refractivity | 19.299999999999997 | RDKit |
