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Ammonium Bromide
CAS: 12124-97-9 | H4BrN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12124-97-9
Molecular Formula:
H4BrN
Molecular Weight:
97.943 g/mol
Names and Synonyms:
Ammonium Bromide
Flamex PA
Flovan BU
Fuzzicide
Spectrum XD 3899
Hydrobromic acid monoammoniate
Ammonium bromide
Ammonium bromide ((NH4)Br)
Identifiers:
SMILES:
Br.N
InChI:
InChI=1S/BrH.H3N/h1H;1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 | 97.943 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 96.952711228 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 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 | 0.7399 | RDKit |
| molecular_mass | 97.94 g/mol | Legacy Database |
| density | 2.43 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_bromide None | Legacy Database |
| cas-canonical-smile | Br[NH4] None | Legacy Database |
| cas-density | 2.429 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/BrH.H3N/h1H;1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=SWLVFNYSXGMGBS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ammonium bromide None | Legacy Database |
| wikipedia-name | Ammonium bromide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.3441 | RDKit |
