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Molecule
Manganese Violet
CAS: 10101-66-3 · H7MnNO7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10101-66-3
- Molecular Formula
- H7MnNO7P2
- Molecular Mass
- 249.94 g/mol
Identifiers
CAS Registry Number
10101-66-3
SMILES
N.O=P(O)(O)OP(=O)(O)O.[Mn]
InChI Key
WREYHXXJLCNOJQ-UHFFFAOYSA-N
InChI
InChI=1S/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6)
Names and Synonyms
- Manganese Violet Common Name
- Diphosphoric acid, ammonium manganese(3+) salt (1:1:1) Synonym
- Pyrophosphoric acid, ammonium manganese(3+) salt (1:1:1) Synonym
- C.I. 77742 Synonym
- C.I. Pigment Violet 16 Synonym
- Mineral Violet Synonym
- Nuremberg Violet Synonym
- Manganese violet Synonym
- Ammonium Manganese Pyrophosphate Synonym
- Mango Violet Synonym
- Ammonium manganese pyrophosphate ((NH4)MnP2O7) Synonym
- Ammonium manganese(3+) diphosphate Synonym
- Unipure Pink LC 583 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.94 g/mol | CAS Common Chemistry |
| 249.942 g/mol | RDKit | |
| 251.958 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Manganese_violet | CAS Common Chemistry |
| Canonical SMILES | [Mn].O=P(O)(O)OP(=O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=WREYHXXJLCNOJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Manganese violet | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 159.29 Ų | RDKit |
| 163.47 Ų | chempirical lib | |
| LogP | -0.6521000000000001 | RDKit |
| -0.6521 | RDKit | |
| Molar Refractivity | 30.195300000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.907819924 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 = 249.94 g/mol. Edit any field — others recompute live.
