9-Iminofluorene - CAS 4440-33-9

Catalog:	BB025597
Product Name:	9-Iminofluorene
CAS:	4440-33-9
Synonyms:	9-fluorenimine; fluoren-9-imine

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Computed Properties

IUPAC Name:	fluoren-9-imine
Description:	9-Iminofluorene (CAS# 4440-33-9 ) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C13H9N
Canonical SMILES:	C1=CC=C2C(=C1)C3=CC=CC=C3C2=N
InChI:	InChI=1S/C13H9N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,14H
InChI Key:	QVJLOUKVQGQPCX-UHFFFAOYSA-N
Boiling Point:	313.4 °C at 760 mmHg
Density:	1.17 g/cm³
MDL:	MFCD00032942
LogP:	3.18290

Publication Number	Title	Priority Date
WO-2019208043-A1	Method for producing n-unprotected imine compound	20180424
JP-2021155333-A	Method for synthesizing unprotected imine compound on nitrogen	20180424
US-2020199453-A1	Polymerisable liquid crystal material and polymerised liquid crystal film	20170815
WO-2018101122-A1	Polymerizable composition and optically anisotropic body in which same is used	20161129
WO-2018016567-A1	Polymerizable composition and optically anisotropic body using same	20160720

PMID	Publication Date	Title	Journal
21582831	20090610	N-(9H-Fluoren-9-yl-idene)-4-methyl-aniline	Acta crystallographica. Section E, Structure reports online
16194128	20060101	A TRIR, TREPR and computational study on the reactivity and structure of the 2,2,2-trifluoroethoxycarbonyl radical	Photochemistry and photobiology
16095277	20050819	Generation and characterization of the selenocysteinyl radical: direct evidence from time-resolved UV/Vis, electron paramagnetic resonance, and Fourier transform infrared spectroscopy	The Journal of organic chemistry

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.073499291
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7