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(4-Allylphenyl)diphenylamine

(4-Allylphenyl)diphenylamine - CAS 190334-80-6

Catalog:	BB014713
Product Name:	(4-Allylphenyl)diphenylamine
CAS:	190334-80-6
Synonyms:	N,N-diphenyl-4-prop-2-enylaniline

Technical Data

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Computed Properties

IUPAC Name:	N,N-diphenyl-4-prop-2-enylaniline
Description:	(4-Allylphenyl)diphenylamine (CAS# 190334-80-6 ) is a useful research chemical.
Molecular Weight:	285.38
Molecular Formula:	C21H19N
Canonical SMILES:	C=CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C21H19N/c1-2-9-18-14-16-21(17-15-18)22(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h2-8,10-17H,1,9H2
InChI Key:	YJYHPUGNMYKYNU-UHFFFAOYSA-N
Purity:	97 %
MDL:	MFCD09038414
LogP:	5.88490

Publication Number	Title	Priority Date
WO-2006023950-A2	Organic light-emitting diodes and related hole transport compounds	20040824
EP-1789474-A1	Linear polysiloxanes, silicone composition, and organic light-emitting diode	20040615
JP-2008502770-A	Linear polysiloxane, silicone composition, and organic light emitting diode	20040615
KR-20070026599-A	Linear Polysiloxanes, Silicone Compositions, and Organic Light Emitting Diodes	20040615
US-2008007158-A1	Linear Polysiloxanes, Silicone Composition, and Organic Light-Emitting Diode	20040615

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261-P305+P351+P338
Signal Word:	Warning

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.15174961
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.15174961
Rotatable Bond Count:	5
Topological Polar Surface Area:	3.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.2