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C.I. Basic Orange 22

CAT: 0013-GTR19345696-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19345696-01Size:100 mg
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Description
C.I. Basic Orange 22 is a synthetic cationic dye used in research. It is applied as a biological stain in vitro and has been utilized in studies for visualizing cellular structures and in textile dyeing research.
CAS Number
4657-00-5
Field of Research
Neuroscience
Molecular Weight
426.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3,3-Trimethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl)-3H-indolium chloride
CAS Number4657-00-5
PubChem CID135747272
IUPAC Name1,3,3-trimethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium chloride
Molecular FormulaC28H27ClN2
Molecular Weight427.0
Topological Polar Surface Area7.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity683
SMILES
CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C.[Cl-]
InChI
InChI=1S/C28H27N2.ClH/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;/h5-19H,1-4H3;1H/q+1;/p-1
InChIKey
LORKUZBPMQEQET-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1,3,3-Trimethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl)-3H-indolium chloride
CAS: 4657-00-5
CID: 135747272
Formula: C28H27ClN2
MW: 427.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass426.1862766
Monoisotopic Mass426.1862766
Topological Polar Surface Area7.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity683
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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