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Molecule
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 Mass
- 120.12 g/mol
Identifiers
CAS Registry Number
15245-12-2
SMILES
N.O=[N+]([O-])O.[Ca]
InChI Key
VXESZGDGSIZRQV-UHFFFAOYSA-N
InChI
InChI=1S/Ca.HNO3.H3N/c;2-1(3)4;/h;(H,2,3,4);1H3
Names and Synonyms
- Calcium Ammonium Nitrate Synonym
- Nitric acid, ammonium calcium salt (1:?:?) Synonym
- Nitric acid, ammonium calcium salt Synonym
- Calcium ammonium nitrate Synonym
- Ammonium calcium nitrate Synonym
- CAN Synonym
- CAN (nitrate) Synonym
- Bolifor CNFR Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.12 g/mol | CAS Common Chemistry |
| 120.121 g/mol | RDKit | |
| 122.137 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_ammonium_nitrate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=N(=O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/Ca.HNO3.H3N/c;2-1(3)4;/h;(H,2,3,4);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VXESZGDGSIZRQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium ammonium nitrate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.37 Ų | RDKit |
| LogP | -0.5665000000000002 | RDKit |
| -0.5665 | RDKit | |
| Molar Refractivity | 19.557000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 119.984782968 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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 = 120.12 g/mol. Edit any field — others recompute live.
