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Povidone-Iodine
CAS: 25655-41-8 | C6H9I2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25655-41-8
Molecular Formula:
C6H9I2NO
Molecular Weight:
364.952 g/mol
Names and Synonyms:
Povidone-Iodine
2-Pyrrolidinone, 1-ethenyl-, homopolymer, compd. with iodine
2-Pyrrolidinone, 1-vinyl-, polymers, compd. with iodine
Iodine, compd. with 1-vinyl-2-pyrrolidinone polymers
Iodine, compd. with 1-ethenyl-2-pyrrolidinone homopolymer
Betadine
Poly(vinylpyrrolidinone) iodide
Povidone-iodine
Poly(vinylpyrrolidone)-iodine adduct
Iodinated poly(vinylpyrrolidone)
Iodine-poly(vinylpyrrolidinone)
Iodine-poly(vinylpyrrolidone) complex
Polyvinylpyrrolidone compound with iodine
Isobetadyne
Poly(vinylpyrrolidinone)-iodine complex
Betaisodona
Isodine
PVP-iodine
Massengill
Vidine
Videne
Potadine
Neojodin
Iodine-povidone complex
Iodovidone
Isobetadine
Suliodovizol
Operand
U-PASTA
Cide-Plus
Poly(vinylpyrrolidone), compd. with iodine
Povidone, iodinated
Medi-Scrub PVP iodine
Persist
Inadine
Traumasept
Proviodine
Braunol
Braunosan H Disadine DP
Efodine
Disphex
P3-cide
NSC 26245
Iodosept
PVP-Iodine 30/06
Isodine Gargle
Negmin
Eso-jod 100
Povadyne
Betaseptic
Isosept
Popiyodon Gargle
Poviiodeks
Identifiers:
SMILES:
C=CN1CCCC1=O.II
InChI:
InChI=1S/C6H9NO.I2/c1-2-7-5-3-4-6(7)8;1-2/h2H,1,3-5H2;
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 364.95 g/mol | Legacy Database |
| cas-canonical-smile | O=C1N(C=C)CCC1.II None | Legacy Database |
| cas-inchi | InChI=1S/C6H9NO.I2/c1-2-7-5-3-4-6(7)8;1-2/h2H,1,3-5H2; None | Legacy Database |
| cas-inchi-key | InChIKey=CPKVUHPKYQGHMW-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Povidone-iodine None | Legacy Database |
| LogP | 2.5237000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 364.952 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 364.877359908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 59.18400000000001 | RDKit |
