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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
Names and Synonyms:
Manganese Violet
Diphosphoric acid, ammonium manganese(3+) salt (1:1:1)
Pyrophosphoric acid, ammonium manganese(3+) salt (1:1:1)
C.I. 77742
C.I. Pigment Violet 16
Mineral Violet
Nuremberg Violet
Manganese violet
Ammonium Manganese Pyrophosphate
Mango Violet
Ammonium manganese pyrophosphate ((NH4)MnP2O7)
Ammonium manganese(3+) diphosphate
Unipure Pink LC 583
Identifiers:
SMILES:
N.O=P(O)(O)OP(=O)(O)O.[Mn]
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)
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 | 249.94 g/mol | CAS Common Chemistry |
| 249.942 g/mol | RDKit | |
| 249.907819924 g/mol | RDKit | |
| 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 |
| LogP | -0.6521000000000001 | RDKit |
| Molar Refractivity | 30.195300000000003 | RDKit |
