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Ammonia
CAS: 7664-41-7 | H3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7664-41-7
Molecular Formula:
H3N
Molecular Weight:
17.031 g/mol
Names and Synonyms:
Ammonia
Synonym
Ammonia
Synonym
Ammonia gas
Synonym
Spirit of Hartshorn
Synonym
Nitro-Sil
Synonym
R 717 (ammonia)
Synonym
Refrigerent R717
Synonym
Ammonia-14N
Synonym
R 717
Synonym
Busan 1474
Synonym
Spirits of hartshorn
Synonym
Identifiers:
SMILES:
N
InChI:
InChI=1S/H3N/h1H3
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 | 17.031 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 17.026549096 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 | 17.03 g/mol | Legacy Database |
| density | 0.70 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonia None | Legacy Database |
| cas-boiling-point | -33.35 °C None | Legacy Database |
| cas-canonical-smile | N None | Legacy Database |
| cas-density | 0.7 g/cm3 @ Temp: -33 °C None | Legacy Database |
| cas-inchi | InChI=1S/H3N/h1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -77.7 °C None | Legacy Database |
| cas-name | Ammonia None | Legacy Database |
| wikipedia-name | Ammonia None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.0221 | RDKit |