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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 Weight:
70.095 g/mol
Names and Synonyms:
Dimethylcyanamide
Synonym
Cyanamide, N,N-dimethyl-
Synonym
Cyanamide, dimethyl-
Synonym
N,N-Dimethylcyanamide
Synonym
Dimethylcyanamide
Synonym
N-Cyano-N-methylmethanamine
Synonym
Cyanodimethylamine
Synonym
Dimethylaminocarbonitrile
Synonym
N-Cyanodimethylamine
Synonym
NSC 7765
Synonym
N,N-Dimethylcyanoamine
Synonym
Identifiers:
SMILES:
CN(C)C#N
InChI:
InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 70.095 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.053098192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.029079999999999995 | RDKit |
| molecular_mass | 70.10 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| cas-boiling-point | 163.5 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | N#CN(C)C None | Legacy Database |
| cas-density | 0.876 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OAGOUCJGXNLJNL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -41.0 °C None | Legacy Database |
| cas-name | Dimethylcyanamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.299999999999997 | RDKit |