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1,9-Dimethylmethylene blue

CAT: 0931-T204221-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204221-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23481-50-7
Bioactivity
1,9-Dimethylmethylene blue is a fluorescent dye used for the detection of chondroitin sulfate.
Smiles
[Cl-].N=1C2=C([S+]=C3C=C(C=C(C13)C)N(C)C)C=C(C=C2C)N(C)C
Molecular Formula
C18H22ClN3S
Molecular Weight
347.905
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dimethylmethylene blue

RN refers to chloride

CAS Number23481-50-7
PubChem CID123898
IUPAC Name[7-(dimethylamino)-1,9-dimethylphenothiazin-3-ylidene]-dimethylazanium chloride
Molecular FormulaC18H22ClN3S
Molecular Weight347.9
Topological Polar Surface Area43.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity548
SMILES
CC1=CC(=CC2=C1N=C3C(=CC(=[N+](C)C)C=C3S2)C)N(C)C.[Cl-]
InChI
InChI=1S/C18H22N3S.ClH/c1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;/h7-10H,1-6H3;1H/q+1;/p-1
InChIKey
JRMSLDWZFJZLAS-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Dimethylmethylene blue
CAS: 23481-50-7
CID: 123898
Formula: C18H22ClN3S
MW: 347.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass347.1222966
Monoisotopic Mass347.1222966
Topological Polar Surface Area43.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity548
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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