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4316-56-7 molecular structure
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4-chloro-N,N-diphenylaniline

ChemBase ID: 798641
Molecular Formular: C18H14ClN
Molecular Mass: 279.76346
Monoisotopic Mass: 279.08147713
SMILES and InChIs

SMILES:
N(c1ccccc1)(c1ccccc1)c1ccc(cc1)Cl
Canonical SMILES:
Clc1ccc(cc1)N(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H14ClN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKey:
WNMSSOWUFXADRQ-UHFFFAOYSA-N

Cite this record

CBID:798641 http://www.chembase.cn/molecule-798641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-N,N-diphenylaniline
IUPAC Traditional name
4-chloro-N,N-diphenylaniline
Synonyms
(4-chlorophenyl)diphenylamine
CAS Number
4316-56-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11813 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O11813 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.898851  LogD (pH = 7.4) 5.898851 
Log P 5.898851  Molar Refractivity 84.0233 cm3
Polarizability 32.537468 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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