Back to Search
Molecule
Deuterated Dmf
CAS: 4472-41-7 · C3H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4472-41-7
- Molecular Formula
- C3H7NO
- Molecular Mass
- 80.14 g/mol
Identifiers
CAS Registry Number
4472-41-7
SMILES
[2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI Key
ZMXDDKWLCZADIW-YYWVXINBSA-N
InChI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D
Names and Synonyms
- Deuterated Dmf Common Name
- Formamide-1-d, N,N-di(methyl-d3)- Synonym
- N,N-Dimethylformamide-d7 Synonym
- Dimethylformamide-d7 Synonym
- Perdeuterodimethylformamide Synonym
- DMF-d7 Synonym
- d7-DMF Synonym
- d7-N,N-Dimethylformamide Synonym
- 1-Deuterio-N,N-bis(trideuteriomethyl)formamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.14 g/mol | CAS Common Chemistry |
| 80.13771244599998 g/mol | RDKit | |
| 80.09670106599998 g/mol | RDKit | |
| 80.1377 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterated_DMF | CAS Common Chemistry |
| Canonical SMILES | O=CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D | CAS Common Chemistry |
| InChI Key | InChIKey=ZMXDDKWLCZADIW-YYWVXINBSA-N | CAS Common Chemistry |
| Name | N,N-Dimethylformamide-d7 | CAS Common Chemistry |
| Deuterated DMF | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| 0 | RDKit | |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | -0.2956000000000001 | RDKit |
| -0.2956 | RDKit | |
| Molar Refractivity | 19.750999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 73.095 g/mol | chempirical lib |
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
Convert
Quick conversion
MW = 80.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO.
