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2479-46-1 molecular structure
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4-[3-(4-aminophenoxy)phenoxy]aniline

ChemBase ID: 146243
Molecular Formular: C18H16N2O2
Molecular Mass: 292.33184
Monoisotopic Mass: 292.12117776
SMILES and InChIs

SMILES:
c1cc(cc(c1)Oc1ccc(cc1)N)Oc1ccc(cc1)N
Canonical SMILES:
Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N
InChI:
InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2
InChIKey:
WUPRYUDHUFLKFL-UHFFFAOYSA-N

Cite this record

CBID:146243 http://www.chembase.cn/molecule-146243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[3-(4-aminophenoxy)phenoxy]aniline
IUPAC Traditional name
4-[3-(4-aminophenoxy)phenoxy]aniline
Synonyms
1,3-Bis(4-aminophenoxy)benzene
4,4′-(1,3-Phenylenedioxy)dianiline
4,4'-(1,3-次苯基二氧)二苯胺
CAS Number
2479-46-1
MDL Number
MFCD00039154
PubChem SID
24871238
162240442
PubChem CID
17201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2741342  LogD (pH = 7.4) 3.3154283 
Log P 3.3159683  Molar Refractivity 87.9404 cm3
Polarizability 33.276028 Å3 Polar Surface Area 70.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
115-118 °C(lit.) expand Show data source
RTECS
BY8236000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
C6H4(OC6H4NH2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 476323 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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