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Molecule
Ammonia-D3
CAS: 13550-49-7 · H3N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13550-49-7
- Molecular Formula
- H3N
- Molecular Mass
- 20.05 g/mol
Identifiers
CAS Registry Number
13550-49-7
SMILES
[2H]N([2H])[2H]
InChI Key
QGZKDVFQNNGYKY-ZRLBSURWSA-N
InChI
InChI=1S/H3N/h1H3/i/hD3
Names and Synonyms
- Ammonia-D3 Common Name
- Ammonia-d3 Synonym
- Perdeuteroammonia Synonym
- Perdeuterated ammonia Synonym
- Trideuterioammonia Synonym
- Ammonia (ND3) Synonym
- Trideuteroammonia Synonym
- Perdeuterioammonia Synonym
- Trideuterated ammonia Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 20.05 g/mol | CAS Common Chemistry |
| 20.049305334 g/mol | RDKit | |
| 20.045379334 g/mol | RDKit | |
| 20.0493 g/mol | RDKit | |
| Canonical SMILES | N | CAS Common Chemistry |
| InChI | InChI=1S/H3N/h1H3/i/hD3 | CAS Common Chemistry |
| InChI Key | InChIKey=QGZKDVFQNNGYKY-ZRLBSURWSA-N | CAS Common Chemistry |
| Name | Ammonia-d3 | CAS Common Chemistry |
| Heavy Atom Count | 1 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.0 Ų | RDKit |
| LogP | 0.16199999999999998 | RDKit |
| 0.162 | RDKit | |
| Molar Refractivity | 5.0221 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 17.031 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 20.05 g/mol. Edit any field — others recompute live.
