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2-Aminophenanthrene

CAT: 0931-T207090-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T207090-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3366-65-2
Target
Others
Related Pathways
Others
Purity
0.9965
Bioactivity
2-Aminophenanthrene is a polycyclic aromatic amine biomedical compound primarily used in investigative research as a model compound for studying metabolic activation, DNA adduct formation, and the mechanisms of mutagenesis and carcinogenesis associated with this class of environmental contaminants.
Smiles
NC=1C=CC2=C(C=CC=3C=CC=CC32)C1
Molecular Formula
C14H11N
Molecular Weight
193.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Phenanthrenamine
CAS Number3366-65-2
PubChem CID76893
IUPAC Namephenanthren-2-amine
Molecular FormulaC14H11N
Molecular Weight193.24
XLogP3.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)N
InChI
InChI=1S/C14H11N/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,15H2
InChIKey
ZEAWSFHWVLOENK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenanthrenamine
CAS: 3366-65-2
CID: 76893
Formula: C14H11N
MW: 193.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.24
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass193.089149355
Monoisotopic Mass193.089149355
Topological Polar Surface Area26 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
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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