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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 Mass:
77.08 g/mol
Names and Synonyms:
Ammonium Acetate
Acetic acid, ammonium salt (1:1)
Acetic acid, ammonium salt
Ammonium acetate
Mindererus's spirit
1BEEM
Ammonium acetate solution
Spirit of mindereus
Mindererus spirit
Identifiers:
SMILES:
CC(=O)O.N
InChI:
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
Key Properties
Melting Point
114 °C
CAS Common Chemistry
Density
1.17 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 77.08 g/mol | CAS Common Chemistry |
| 77.08300000000001 g/mol | RDKit | |
| 77.047678464 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_acetate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C.N | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=USFZMSVCRYTOJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | Ammonium acetate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 0.2528999999999998 | RDKit |
| Molar Refractivity | 18.331900000000005 | RDKit |
