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Molecule
Ammonia
CAS: 7664-41-7 · H3N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7664-41-7
- Molecular Formula
- H3N
- Molecular Mass
- 17.03 g/mol
Identifiers
CAS Registry Number
7664-41-7
SMILES
N
InChI Key
QGZKDVFQNNGYKY-UHFFFAOYSA-N
InChI
InChI=1S/H3N/h1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 17.03 g/mol | CAS Common Chemistry |
| 17.031 g/mol | RDKit | |
| Density | 0.70 g/cm³ | CAS Common Chemistry |
| 0.7 g/cm3 @ -33 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonia | CAS Common Chemistry |
| Boiling Point | -33.35 °C | CAS Common Chemistry |
| Canonical SMILES | N | CAS Common Chemistry |
| InChI | InChI=1S/H3N/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -77.7 °C | CAS Common Chemistry |
| Name | Ammonia | 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 | 17.026549096 g/mol | RDKit |
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
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MW = 17.03 g/mol; density = 0.700 g/mL. Edit any field — others recompute live.
