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Pyronin B

CAT: 0926-FP47173-03Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FP47173-03Size:1 Kg
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CAS Number
2150-48-3
Synonyms
CI 451
MDL Number
MFCD00011932
Smiles
CCN (CC) C1=CC2=C (C=C1) C=C3C=CC (=[N+] (CC) CC) C=C3O2.[Cl-]
Molecular Formula
C42H54Cl8Fe2N4O
Molecular Weight
1,026.22 g/mol
Controlled
No

Chemical Information

Pyronine B

Pyronin B is an organic chloride salt having 6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium as the cation. Depending on the mode of manufacture, pyronin B also exists in the form of an FeCl3 complex. It has a role as a histological dye. It is an iminium salt and an organic chloride salt. It contains a pyronin B(1+).

CAS Number2150-48-3
PubChem CID16524
IUPAC Name[6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride
Molecular FormulaC21H27ClN2O
Molecular Weight358.9
Topological Polar Surface Area15.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity530
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]
InChI
InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
CXZRDVVUVDYSCQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Pyronine B
CAS: 2150-48-3
CID: 16524
Formula: C21H27ClN2O
MW: 358.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass358.1811912
Monoisotopic Mass358.1811912
Topological Polar Surface Area15.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes