4-(1-Methylethyl)-N-[4-(1-methylethyl)phenyl]benzenamine - CAS 63451-41-2

Catalog:	BB076302
Product Name:	4-(1-Methylethyl)-N-[4-(1-methylethyl)phenyl]benzenamine
CAS:	63451-41-2
Synonyms:	bis(4-isopropylphenyl)amine; 4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline; Benzenamine, 4-(1-methylethyl)-N-[4-(1-methylethyl)phenyl]-; 4-(Propan-2-yl)-N-[4-(propan-2-yl)phenyl]aniline; N,N-Di-(4-isopropylphenyl)amine

Technical Data

IUPAC Name:	4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
Description:	4-(1-Methylethyl)-N-[4-(1-methylethyl)phenyl]benzenamine is an intermediate in the synthesis of 2,7-Diisopropyl-9,9-dimethyl-9,10-dihydroacridine-d6 (D455762), which is a labeled analogue of 2,7-Diisopropyl-9,9-dimethyl-9,10-dihydroacridine (D455760), a useful chemical reagent. Also, it is derived from 9,9-Dimethyl-9,10-dihydroacridine (D474300), which are currently being used in the development of thermally activated delayed fluorescence (TADF) molecules which are being researched for their possible efficient deep- blue TADF emitting potential.
Molecular Weight:	253.38
Molecular Formula:	C18H23N
Canonical SMILES:	CC(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)C
InChI:	InChI=1S/C18H23N/c1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4/h5-14,19H,1-4H3
InChI Key:	HFPMNRKCIPGSNW-UHFFFAOYSA-N
References:	Kwon, D.Y., et al. J. Nanosci. Nanotechnol., 15, 7828-31 (2015); Wada, Y., et al. Adv. Mater., 30 (2018)..

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.183049738
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.183049738
Rotatable Bond Count:	4
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7