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Methylene Blue 95% AR

CAT: 1278-01721 00025Size: 25 gDry Ice: NoHazardous: No
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CAT#:1278-01721 00025Size:25 g
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CAS Number
61-73-4
HS Code
32041351
Packaging Group
PB

Chemical Information

Methylene Blue

Methylene blue is an organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties. It has a role as an antioxidant, an antimicrobial agent, a physical tracer, an antidepressant, an EC 3.1.1.8 (cholinesterase) inhibitor, an antimalarial, an EC 1.4.3.4 (monoamine oxidase) inhibitor, an acid-base indicator, a fluorochrome, a neuroprotective agent, a histological dye, a cardioprotective agent and an EC 4.6.1.2 (guanylate cyclase) inhibitor. It contains a 3,7-bis(dimethylamino)phenothiazin-5-ium.

CAS Number61-73-4
PubChem CID6099
IUPAC Name[7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride
Molecular FormulaC16H18ClN3S
Molecular Weight319.9
Topological Polar Surface Area43.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity483
SMILES
CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]
InChI
InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
InChIKey
CXKWCBBOMKCUKX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Methylene Blue
CAS: 61-73-4
CID: 6099
Formula: C16H18ClN3S
MW: 319.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass319.0909965
Monoisotopic Mass319.0909965
Topological Polar Surface Area43.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity483
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

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