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Molecule
N-Nitrosodimethylamine
CAS: 62-75-9 · C2H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 62-75-9
- Molecular Formula
- C2H6N2O
- Molecular Mass
- 74.08 g/mol
Identifiers
CAS Registry Number
62-75-9
SMILES
CN(C)N=O
InChI Key
UMFJAHHVKNCGLG-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
Names and Synonyms
- N-Nitrosodimethylamine Synonym
- Methanamine, N-methyl-N-nitroso- Synonym
- Dimethylamine, N-nitroso- Synonym
- N-Methyl-N-nitrosomethanamine Synonym
- Dimethylnitrosamine Synonym
- DMN Synonym
- DMNA Synonym
- N-Nitrosodimethylamine Synonym
- N-Nitroso-N,N-dimethylamine Synonym
- NDMA Synonym
- NSC 23226 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.083 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.0048 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Nitrosodimethylamine | CAS Common Chemistry |
| Boiling Point | 151-153 °C | CAS Common Chemistry |
| Canonical SMILES | O=NN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UMFJAHHVKNCGLG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | N-Nitrosodimethylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| 32.44 Ų | chempirical lib | |
| LogP | 0.22939999999999994 | RDKit |
| 0.2294 | RDKit | |
| Molar Refractivity | 19.481999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 74.048012812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 74.08 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6N2O.
