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Molecule
ID:75286
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₄H₂₀N₂
Molecular Mass
336.429
Exact Mass
336.16264865
Charge
0
InChI
InChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H
InChIKey
FDRNXKXKFNHNCA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Nc1ccc(cc1)c1ccc(cc1)Nc1ccccc1
Isomeric Smiles
N(c1ccc(cc1)c1ccc(cc1)Nc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.500309
LogD (pH = 7.4)
6.5003223
Log P
6.500323
Molar Refractivity
108.1666
Polarizability
42.9643
Polar Surface Area
24.06
Rotatable Bonds
5
Lipinski's Rule of Five
false
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General Information
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Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR11178
MP Biomedicals
05204407
Sigma Aldrich
D205206
Bide Pharmatech
BD142327
Alfa Aesar
A13802
A&J Pharmtech
AJA-O8127
AJA-O8991
Academic Data
PubChem
68280
Names and Identifiers
Synonyms
N,N′-Diphenylbenzidine
N,N′-二苯基联苯二胺
N,N'-DIPHENYLBENZIDINE
4,4'-Bis(phenylamino)biphenyl
N,N'-Diphenylbenzidine
N4,N4'-Diphenyl-[1,1'-biphenyl]-4,4'-diamine
N,N'-Diphenylbenzidine
N,N'-二苯基对联苯胺
4,4'-Bis(anilino)biphenyl
IUPAC name
N-phenyl-4-[4-(phenylamino)phenyl]aniline
IUPAC Traditional name
N-phenyl-4-[4-(phenylamino)phenyl]aniline
Registration numbers
PubChem CID
68280
PubChem SID
162040204
24893610
CAS Number
531-91-9
EC Number
208-521-7
Beilstein Number
2220993
MDL Number
MFCD00003016
Merck Index
143319
Properties
Physical Property
Melting Point
247°C
Source
246-248 °C(lit.)
Source
246-250°C
Source
Safety Information
Storage Warning
Irritant
Source
Light Sensitive
Source
MSDS Link
Download link
Source
Download link
Source
European Hazard Symbols
Harmful (Xn)
Source
Risk Statements
R:
22
Source
Safety Statements
S:
36/37/39
Source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
German water hazard class
3
Source
TSCA Listed
是
Source
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
4-(C6H5NH)C6H4C6H4-4-(NHC6H5)
Source
Purity
97%
Source
98%
Source
Molecule Details
MP Biomedicals
05204407
MP Biomedicals Rare Chemical collection
Sigma Aldrich
D205206
Packaging
10 g in glass bottle
References
PubChem Literature
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