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20440-91-9 molecular structure
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N,N-bis(4-methoxyphenyl)-4-nitroaniline

ChemBase ID: 291740
Molecular Formular: C20H18N2O4
Molecular Mass: 350.36792
Monoisotopic Mass: 350.12665707
SMILES and InChIs

SMILES:
O=[N+](c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)[O-]
Canonical SMILES:
COc1ccc(cc1)N(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OC
InChI:
InChI=1S/C20H18N2O4/c1-25-19-11-7-16(8-12-19)21(17-9-13-20(26-2)14-10-17)15-3-5-18(6-4-15)22(23)24/h3-14H,1-2H3
InChIKey:
IRTXFNPBVZYVOU-UHFFFAOYSA-N

Cite this record

CBID:291740 http://www.chembase.cn/molecule-291740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-bis(4-methoxyphenyl)-4-nitroaniline
4-methoxy-N-(4-methoxyphenyl)-N-(4-nitrophenyl)aniline
IUPAC Traditional name
N,N-bis(4-methoxyphenyl)-4-nitroaniline
4-methoxy-N-(4-methoxyphenyl)-N-(4-nitrophenyl)aniline
Synonyms
4-Methoxy-N-(4-methoxyphenyl)-N-(4-nitrophenyl)aniline
4,4'-dimethoxy-4''-nitrotriphenylamine
CAS Number
20440-91-9
MDL Number
MFCD13185882
PubChem SID
180677271
PubChem CID
45108308

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45108308 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.919448  LogD (pH = 7.4) 4.919448 
Log P 4.919448  Molar Refractivity 98.4654 cm3
Polarizability 37.529213 Å3 Polar Surface Area 64.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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