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Molecule
Dimethylcyanamide
CAS: 1467-79-4 · C3H6N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1467-79-4
- Molecular Formula
- C3H6N2
- Molecular Mass
- 70.10 g/mol
Identifiers
CAS Registry Number
1467-79-4
SMILES
CN(C)C#N
InChI Key
OAGOUCJGXNLJNL-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 70.10 g/mol | CAS Common Chemistry |
| 70.095 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.876 g/cm3 | 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 |
| 0.0291 | RDKit | |
| Molar Refractivity | 19.299999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 70.053098192 g/mol | RDKit |
| Boiling Point | 163.5 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 70.10 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6N2.
