4,4'-Dimethyldiphenylamine - CAS 620-93-9

Name: 4,4'-Dimethyldiphenylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031413
Product Name:	4,4'-Dimethyldiphenylamine
CAS:	620-93-9
Synonyms:	4-methyl-N-(4-methylphenyl)aniline; 4-methyl-N-(4-methylphenyl)aniline

Technical Data

IUPAC Name:	4-methyl-N-(4-methylphenyl)aniline
Description:	4,4'-Dimethyldiphenylamine (CAS# 620-93-9) is a reagent used in the comparative studies of the analgesic and anti-inflammatory properties of N-phenylanthranilic acids and mefenamic acid, and the anti parasitic activities of some substituted diphenylamines.
Molecular Weight:	197.28
Molecular Formula:	C14H15N
Canonical SMILES:	CC1=CC=C(C=C1)NC2=CC=C(C=C2)C
InChI:	InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChI Key:	RHPVVNRNAHRJOQ-UHFFFAOYSA-N
Boiling Point:	330 °C
Melting Point:	78-82 °C
Purity:	99 %
Density:	1.0514 (rou gh estimate)
Appearance:	White powder
Storage:	Room temperature.
MDL:	MFCD00059317
LogP:	4.12000

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21597616	20110921	Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes	Dalton transactions (Cambridge, England : 2003)
18712865	20080917	Mesitylboron-substituted ladder-type pentaphenylenes: charge-transfer, electronic communication, and sensing properties	Journal of the American Chemical Society
18666796	20080905	Preparation and study of 1,8-di(pyrid-2'-yl)carbazoles	The Journal of organic chemistry

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.120449483
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.120449483
Rotatable Bond Count:	2
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2