Tri-p-tolylamine - CAS 1159-53-1

Catalog:	BB003656
Product Name:	Tri-p-tolylamine
CAS:	1159-53-1
Synonyms:	4-methyl-N,N-bis(4-methylphenyl)aniline; 4-methyl-N,N-bis(4-methylphenyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-N,N-bis(4-methylphenyl)aniline
Description:	Tri-p-tolylamine (CAS# 1159-53-1) is a useful isotopically labeled research compound.
Molecular Weight:	287.40
Molecular Formula:	C21H21N
Canonical SMILES:	CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI:	InChI=1S/C21H21N/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChI Key:	YXYUIABODWXVIK-UHFFFAOYSA-N
Boiling Point:	170 °C / 0.1 mmHg
Melting Point:	114-118 °C
Purity:	99 %
Density:	1.10 g/mL
Appearance:	White powder
Storage:	Keep cold.
MDL:	MFCD00674043
LogP:	6.08160

Publication Number	Title	Priority Date
US-2021184146-A1	Inorganic light emitting diode and inorganic light emitting device including the same	20191217
WO-2021125412-A1	Defect-suppressed metal halide perovskite luminescent material, and light-emitting diode comprising same	20191216
US-2021095193-A1	Dispersant, light emitting film, light emitting diode and light emitting device including the dispersant	20191001
US-2021066638-A1	Light emitting diode and light emitting device including the same	20190904
WO-2021029463-A1	Organic material and organic light emitting diode comprising same	20190812

PMID	Publication Date	Title	Journal
22148470	20120112	Electrochemically induced reversible and irreversible coupling of triarylamines	The journal of physical chemistry. B
21225029	20110307	Solid-state electropolymerization and doping of triphenylamine as a route for electroactive thin films	Physical chemistry chemical physics : PCCP
18636692	20080807	Neutral and charged excited states in polar organic films: origin of unusual electroluminescence in tri-p-tolylamine-based hole conductors	The journal of physical chemistry. A
17165760	20061220	Nature and energies of electrons and holes in a conjugated polymer, polyfluorene	Journal of the American Chemical Society
15469234	20041013	One-electron oxidation of a hydrogen-bonded phenol occurs by concerted proton-coupled electron transfer	Journal of the American Chemical Society

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Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.167399674
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	287.167399674
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.3