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50432-01-4 molecular structure
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4-amino-2,6-diphenylphenol

ChemBase ID: 140017
Molecular Formular: C18H15NO
Molecular Mass: 261.3178
Monoisotopic Mass: 261.11536411
SMILES and InChIs

SMILES:
c1ccc(cc1)c1cc(cc(c1O)c1ccccc1)N
Canonical SMILES:
Nc1cc(c2ccccc2)c(c(c1)c1ccccc1)O
InChI:
InChI=1S/C18H15NO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12,20H,19H2
InChIKey:
YCOUFOVMXBWYIX-UHFFFAOYSA-N

Cite this record

CBID:140017 http://www.chembase.cn/molecule-140017.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-2,6-diphenylphenol
IUPAC Traditional name
4-amino-2,6-diphenylphenol
Synonyms
4-Amino-2,6-diphenylphenol
4-氨基-2,6-二苯基苯酚
CAS Number
50432-01-4
MDL Number
MFCD00034070
PubChem SID
24856528
162234262
PubChem CID
621555

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
273066 external link Add to cart Please log in.
Data Source Data ID
PubChem 621555 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.810582  H Acceptors
H Donor LogD (pH = 5.5) 3.9296596 
LogD (pH = 7.4) 4.1299357  Log P 4.1352053 
Molar Refractivity 83.0117 cm3 Polarizability 34.216366 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
148-150 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
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
98% expand Show data source
Linear Formula
H2NC6H2(C6H5)2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 273066 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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