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N,N'-Diphenyl-N,N'-di(m-tolyl)-1,4-phenylenediamine

Catalog Number
ACM80223296-2
Product Name
N,N'-Diphenyl-N,N'-di(m-tolyl)-1,4-phenylenediamine
Structure
CAS
80223-29-6
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
1-N,4-N-Bis(3-Methylphenyl)-1-N,4-N-Diphenylbenzene-1,4-Diamine
IUPAC Name
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
Molecular Weight
440.59
Molecular Formula
C32H28N2
Canonical SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C
InChI
InChI=1S/C32H28N2/c1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h3-24H,1-2H3
InChI Key
ZWZXDJMNYGRYNP-UHFFFAOYSA-N
Boiling Point
174 °C
Melting Point
173 °C
Purity
95%+
Appearance
White to Light yellow powder to crystal
Storage
Store under inert gas
Complexity
532
Covalently-Bonded Unit Count
1
Exact Mass
440.225249g/mol
Formal Charge
0
Hazard Statements
H411 : Toxic to aquatic life with long lasting effects.
Heavy Atom Count
34
MDL Number
MFCD00228123
Monoisotopic Mass
440.225249g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P391 : Collect spillage.
Rotatable Bond Count
6
Signal Word
Warning
XLogP3
9.1
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