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Acriflavine neutral

CAT: 0063-25821946Size: 25 gDry Ice: NoHazardous: No
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CAT#:0063-25821946Size:25 g
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CAS Number
8048-52-0

Chemical Information

Acriflavine

3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-acridinediamine. Fluorescent dye used as a local antiseptic and also as a biological stain. It intercalates into nucleic acids thereby inhibiting bacterial and viral replication.

CAS Number8048-52-0
PubChem CID443101
IUPAC Nameacridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride
Molecular FormulaC27H25ClN6
Molecular Weight469.0
Topological Polar Surface Area121
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count34
Formal Charge0
Complexity486
SMILES
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]
InChI
InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H
InChIKey
PEJLNXHANOHNSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acriflavine
CAS: 8048-52-0
CID: 443101
Formula: C27H25ClN6
MW: 469.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass468.1829225
Monoisotopic Mass468.1829225
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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