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Molecule
Sodium Nitroprusside Dihydrate
CAS: 13755-38-9 · C5H4FeN6Na2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13755-38-9
- Molecular Formula
- C5H4FeN6Na2O3
- Molecular Mass
- 297.95 g/mol
Identifiers
CAS Registry Number
13755-38-9
SMILES
N#[O+].O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+]
InChI Key
SPBWMYPZWNFWES-UHFFFAOYSA-N
InChI
InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;
Names and Synonyms
- Sodium Nitroprusside Dihydrate Synonym
- Ferrate(2-), pentakis(cyano-κC)nitrosyl-, sodium, hydrate (1:2:2), (OC-6-22)- Synonym
- Ferrate(2-), pentacyanonitrosyl-, disodium, dihydrate Synonym
- Ferrate(2-), pentakis(cyano-C)nitrosyl-, disodium, dihydrate, (OC-6-22)- Synonym
- Sodium nitroprusside dihydrate Synonym
- Disodium nitroprusside dihydrate Synonym
- Disodium pentacyanonitrosylferrate(2-) dihydrate Synonym
- SNP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.95 g/mol | CAS Common Chemistry |
| 297.951 g/mol | RDKit | |
| 306.015 g/mol | chempirical lib | |
| Canonical SMILES | [Na+].N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[N]#[O+].O | CAS Common Chemistry |
| InChI | InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;; | CAS Common Chemistry |
| InChI Key | InChIKey=SPBWMYPZWNFWES-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium nitroprusside dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 225.63999999999996 Ų | RDKit |
| 225.64 Ų | RDKit | |
| LogP | -7.265769999999998 | RDKit |
| -7.2658 | RDKit | |
| Molar Refractivity | 34.4791 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 297.948964048 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 297.95 g/mol. Edit any field — others recompute live.
