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Lucigenin

CAT: 0926-FL65832-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FL65832-02Size:500 mg
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CAS Number
2315-97-1
Synonyms
Bis-N-Methyl acridinium nitrate
MDL Number
MFCD00011925
Smiles
C[N+]1=C2C=CC=CC2=C (C3=CC=CC=C31) C4=C5C=CC=CC5=[N+] (C6=CC=CC=C64) C.[N+] (=O) ([O-]) [O-].[N+] (=O) ([O-]) [O-]
Molecular Formula
C28H22N2·2NO3
Molecular Weight
510.5 g/mol
Controlled
No

Chemical Information

N,N'-Dimethyl-9,9'-bisacridinium nitrate
CAS Number2315-97-1
PubChem CID65099
IUPAC Name10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium dinitrate
Molecular FormulaC28H22N4O6
Molecular Weight510.5
Topological Polar Surface Area134
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count38
Formal Charge0
Complexity522
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
InChI
InChI=1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1
InChIKey
KNJDBYZZKAZQNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Dimethyl-9,9'-bisacridinium nitrate
CAS: 2315-97-1
CID: 65099
Formula: C28H22N4O6
MW: 510.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight510.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass510.15393443
Monoisotopic Mass510.15393443
Topological Polar Surface Area134 Ų
Heavy Atom Count38
Formal Charge0
Complexity522
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