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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
Names and Synonyms:
Deuterated Dmf
Formamide-1-d, N,N-di(methyl-d3)-
N,N-Dimethylformamide-d7
Dimethylformamide-d7
Perdeuterodimethylformamide
DMF-d7
d7-DMF
d7-N,N-Dimethylformamide
1-Deuterio-N,N-bis(trideuteriomethyl)formamide
Identifiers:
SMILES:
[2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI:
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D
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 | 80.14 g/mol | CAS Common Chemistry |
| 80.13771244599998 g/mol | RDKit | |
| 80.09670106599998 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 |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | -0.2956000000000001 | RDKit |
| Molar Refractivity | 19.750999999999998 | RDKit |
