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Ammonium Acetate
CAS: 631-61-8 | C2H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
631-61-8
Molecular Formula:
C2H7NO2
Molecular Weight:
77.08300000000001 g/mol
Names and Synonyms:
Ammonium Acetate
Common Name
Mindererus spirit
Synonym
Spirit of mindereus
Synonym
Ammonium acetate solution
Synonym
1BEEM
Synonym
Mindererus's spirit
Synonym
Ammonium acetate
Synonym
Acetic acid, ammonium salt
Synonym
Acetic acid, ammonium salt (1:1)
Synonym
Identifiers:
SMILES:
CC(=O)O.N
InChI:
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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 | 77.08300000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 77.047678464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 72.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.2528999999999998 | RDKit |
| molecular_mass | 77.08 g/mol | Legacy Database |
| density | 1.17 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_acetate None | Legacy Database |
| cas-canonical-smile | O=C(O)C.N None | Legacy Database |
| cas-density | 1.17 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=USFZMSVCRYTOJT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 114 °C None | Legacy Database |
| cas-name | Ammonium acetate None | Legacy Database |
| wikipedia-name | Ammonium acetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.331900000000005 | RDKit |