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Calcium Ammonium Nitrate
CAS: 15245-12-2 | H4CaN2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15245-12-2
Molecular Formula:
H4CaN2O3
Molecular Weight:
120.121 g/mol
Names and Synonyms:
Calcium Ammonium Nitrate
Nitric acid, ammonium calcium salt (1:?:?)
Nitric acid, ammonium calcium salt
Calcium ammonium nitrate
Ammonium calcium nitrate
CAN
CAN (nitrate)
Bolifor CNFR
Identifiers:
SMILES:
N.O=[N+]([O-])O.[Ca]
InChI:
InChI=1S/Ca.HNO3.H3N/c;2-1(3)4;/h;(H,2,3,4);1H3
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 | 120.121 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.984782968 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 98.37 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5665000000000002 | RDKit |
| molecular_mass | 120.12 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_ammonium_nitrate None | Legacy Database |
| cas-canonical-smile | [Ca].O=N(=O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/Ca.HNO3.H3N/c;2-1(3)4;/h;(H,2,3,4);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VXESZGDGSIZRQV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Calcium ammonium nitrate None | Legacy Database |
| wikipedia-name | Calcium ammonium nitrate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.557000000000006 | RDKit |
