9-Aminofluorene - CAS 525-03-1

Catalog:	BB027851
Product Name:	9-Aminofluorene
CAS:	525-03-1
Synonyms:	9H-fluoren-9-amine; 9H-fluoren-9-amine

Technical Data

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Computed Properties

IUPAC Name:	9H-fluoren-9-amine
Description:	9-Aminofluorene (CAS# 525-03-1) is a useful research chemical compound.
Molecular Weight:	181.23
Molecular Formula:	C13H11N
Canonical SMILES:	C1=CC=C2C(=C1)C(C3=CC=CC=C32)N
InChI:	InChI=1S/C13H11N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,14H2
InChI Key:	OUGMRQJTULXVDC-UHFFFAOYSA-N
Boiling Point:	331.1 °C at 760 mmHg
Density:	1.162 g/cm³
Appearance:	Solid
MDL:	MFCD00871339
LogP:	3.41540

Publication Number	Title	Priority Date
WO-2021070964-A1	Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device	20191011
WO-2021059086-A1	Organic compound, optical device, light emitting device, light emitting apparatus, electronic device, and lighting device	20190927
WO-2021004391-A1	C-myc protein inhibitor, and preparation method therefor and use thereof	20190708
WO-2020127145-A2	Materials for electronic devices	20181220
WO-2020127259-A2	Materials for electronic devices	20181220

PMID	Publication Date	Title	Journal
22324853	20120306	Sequence effects on translesion synthesis of an aminofluorene-DNA adduct: conformational, thermodynamic, and primer extension kinetic studies	Biochemistry
21790157	20110817	Bypass of aflatoxin B1 adducts by the Sulfolobus solfataricus DNA polymerase IV	Journal of the American Chemical Society
21561113	20110718	γ-Hydroxy-1,N2-propano-2'-deoxyguanosine DNA adduct conjugates the N-terminal amine of the KWKK peptide via a carbinolamine linkage	Chemical research in toxicology
21450272	20110501	Linear free energy relationships predict coordination and π-stacking interactions of small molecules with ferriprotoporphyrin IX	Journal of inorganic biochemistry
21410284	20110418	Conformational and thermodynamic impact of bulky aminofluorene adduction on simulated translesion DNA synthesis	Chemical research in toxicology

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Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.089149355
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2