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937184-70-8 molecular structure
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2-[(4-methoxyphenyl)methoxy]-4-methylquinoline

ChemBase ID: 141088
Molecular Formular: C18H17NO2
Molecular Mass: 279.33308
Monoisotopic Mass: 279.12592879
SMILES and InChIs

SMILES:
Cc1cc(nc2c1cccc2)OCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)COc1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C18H17NO2/c1-13-11-18(19-17-6-4-3-5-16(13)17)21-12-14-7-9-15(20-2)10-8-14/h3-11H,12H2,1-2H3
InChIKey:
NZVDQMQUHTVZAH-UHFFFAOYSA-N

Cite this record

CBID:141088 http://www.chembase.cn/molecule-141088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-methoxyphenyl)methoxy]-4-methylquinoline
IUPAC Traditional name
2-[(4-methoxyphenyl)methoxy]-4-methylquinoline
Synonyms
PMBO-L
PMBO-lepidine
Dudley Reagent II
2-(4-Methoxybenzyloxy)-4-methylquinoline
Dudley 试剂 II
PMBO-勒皮啶
2-(4-甲氧基苄氧)-4-甲基喹啉
CAS Number
937184-70-8
MDL Number
MFCD11656168
PubChem SID
162235323
PubChem CID
16126524

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
701440 external link Add to cart Please log in.
Data Source Data ID
PubChem 16126524 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.6460166  LogD (pH = 7.4) 4.6478863 
Log P 4.64791  Molar Refractivity 82.873 cm3
Polarizability 33.388107 Å3 Polar Surface Area 31.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
73-78 °C 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
22-37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C18H17NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 701440 external link
Packaging
1, 5 g in glass bottle
Legal Information
Sold under license from FSURF, US Patent Application Serial Nos. 60/827,763, 60/862,121 and related patents apply.
Application
Dudley Reagents
• Reagent for the protection of alcohols under relatively neutral1 and acidic2 reaction conditions

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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