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2-Aminophenanthrene

CAT: 0127-BUP22507-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP22507-04Size:25 mg
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CAS Number
3366-65-2
Synonyms
2-Phenanthrenamine
Purity
≥98%
Smiles
NC=1C=CC2=C (C=CC=3C=CC=CC32) C1

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...
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