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Acridine

CAT: 0926-FA17205-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FA17205-02Size:25 g
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CAS Number
260-94-6
Synonyms
10-Azaanthracene;2,3-Benzoquinoline;9-Azaanthracene
MDL Number
MFCD00005025
Smiles
C1=CC=C2C (=C1) C=C3C=CC=CC3=N2
Molecular Formula
C13H9N
Molecular Weight
179.22 g/mol
Controlled
No

Chemical Information

Acridine

Acridine is a polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. It has a role as a genotoxin. It is a member of acridines, a mancude organic heterotricyclic parent and a polycyclic heteroarene.

CAS Number260-94-6
PubChem CID9215
IUPAC Nameacridine
Molecular FormulaC13H9N
Molecular Weight179.22
XLogP3.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=N2
InChI
InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
InChIKey
DZBUGLKDJFMEHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acridine
CAS: 260-94-6
CID: 9215
Formula: C13H9N
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass179.073499291
Monoisotopic Mass179.073499291
Topological Polar Surface Area12.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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