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9-Aminophenanthrene

CAS No.:
947-73-9
Catalog Number:
AG003NK2
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003NK2
Chemical Name:
9-Aminophenanthrene
CAS Number:
947-73-9
MDL Number:
MFCD00001177
IUPAC Name:
phenanthren-9-amine
InChI:
InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2
InChI Key:
KIHQWOBUUIPWAN-UHFFFAOYSA-N
EC Number:
213-431-6
UNII:
7M9M5KM2XY
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.249g/mol
Monoisotopic Mass:
193.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs. Toxicological sciences : an official journal of the Society of Toxicology 20170501
Dissecting the thermodynamics and cooperativity of ligand binding in cytochrome P450eryF. Journal of the American Chemical Society 20070221
NMR studies of ligand binding to P450(eryF) provides insight into the mechanism of cooperativity. Biochemistry 20060214
Different behavior of nitrenes and carbenes on photolysis and thermolysis: formation of azirine, ylidic cumulene, and cyclic ketenimine and the rearrangement of 6-phenanthridylcarbene to 9-phenanthrylnitrene. The Journal of organic chemistry 20050930
A different route to the synthesis of 9,10-disubstituted phenanthrenes. The Journal of organic chemistry 20050805
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
'Allosterism' in the elementary steps of the cytochrome P450 reaction cycle. Drug metabolism reviews 20040501
Dynamics and equilibrium for the formation of fluorescent Lewis acid-base exciplexes and triplexes between 9-aminophenanthrene and aliphatic amines. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20040401
Homotropic versus heterotopic cooperativity of cytochrome P450eryF: a substrate oxidation and spectral titration study. Drug metabolism and disposition: the biological fate of chemicals 20030401
7-Benzyloxyquinoline oxidation by P450eryF A245T: finding of a new fluorescent substrate probe. Chemical research in toxicology 20020601
Site-directed mutagenesis of cytochrome P450eryF: implications for substrate oxidation, cooperativity, and topology of the active site. Chemical research in toxicology 20020601
Copper(II)-mediated oxidative coupling of 2-aminonaphthalene homologues. Competition between the straight dimerization and the formation of carbazoles. The Journal of organic chemistry 20010223
Properties