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Ammonia-D3
CAS: 13550-49-7 | H3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13550-49-7
Molecular Formula:
H3N
Molecular Weight:
20.049305334 g/mol
Names and Synonyms:
Ammonia-D3
Common Name
Trideuterated ammonia
Synonym
Perdeuterioammonia
Synonym
Trideuteroammonia
Synonym
Ammonia (ND3)
Synonym
Trideuterioammonia
Synonym
Perdeuterated ammonia
Synonym
Perdeuteroammonia
Synonym
Ammonia-d3
Synonym
Identifiers:
SMILES:
[2H]N([2H])[2H]
InChI:
InChI=1S/H3N/h1H3/i/hD3
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 | 20.049305334 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 20.045379334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 35.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.16199999999999998 | RDKit |
| molecular_mass | 20.05 g/mol | Legacy Database |
| cas-canonical-smile | N None | Legacy Database |
| cas-inchi | InChI=1S/H3N/h1H3/i/hD3 None | Legacy Database |
| cas-inchi-key | InChIKey=QGZKDVFQNNGYKY-ZRLBSURWSA-N None | Legacy Database |
| cas-name | Ammonia-d3 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.0221 | RDKit |