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20440-94-2 molecular structure
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4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline

ChemBase ID: 798637
Molecular Formular: C20H19NO2
Molecular Mass: 305.37036
Monoisotopic Mass: 305.14157885
SMILES and InChIs

SMILES:
N(c1ccc(cc1)OC)(c1ccccc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccccc1
InChI:
InChI=1S/C20H19NO2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15H,1-2H3
InChIKey:
ZJPTYHDCQPDNBH-UHFFFAOYSA-N

Cite this record

CBID:798637 http://www.chembase.cn/molecule-798637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
IUPAC Traditional name
4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
Synonyms
4-methoxy-n-(4-methoxyphenyl)-n-phenylbenzenamine
CAS Number
20440-94-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O11797 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.9794636  LogD (pH = 7.4) 4.9794636 
Log P 4.9794636  Molar Refractivity 92.1449 cm3
Polarizability 35.709408 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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