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37873-29-3 molecular structure
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5,7-dimethylquinolin-8-ol

ChemBase ID: 152400
Molecular Formular: C11H11NO
Molecular Mass: 173.21114
Monoisotopic Mass: 173.08406398
SMILES and InChIs

SMILES:
Cc1cc(c(c2c1cccn2)O)C
Canonical SMILES:
Cc1cc(C)c2c(c1O)nccc2
InChI:
InChI=1S/C11H11NO/c1-7-6-8(2)11(13)10-9(7)4-3-5-12-10/h3-6,13H,1-2H3
InChIKey:
UKWMNFHGYXRSFQ-UHFFFAOYSA-N

Cite this record

CBID:152400 http://www.chembase.cn/molecule-152400.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dimethylquinolin-8-ol
IUPAC Traditional name
5,7-dimethylquinolin-8-ol
Synonyms
5,7-Dimethyl-8-hydroxyquinoline
5,7-Dimethyl-8-quinolinol
5,7-二甲基-8-羟基喹啉
CAS Number
37873-29-3
MDL Number
MFCD00168976
Beilstein Number
1451007
PubChem SID
24865418
162246545
PubChem CID
762732

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
40702 external link Add to cart Please log in.
Data Source Data ID
PubChem 762732 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.796582  H Acceptors
H Donor LogD (pH = 5.5) 2.4451902 
LogD (pH = 7.4) 2.8412004  Log P 2.854178 
Molar Refractivity 52.0426 cm3 Polarizability 21.128485 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
95-98 °C 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
26-36 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
≥98.0% (GC) expand Show data source
Empirical Formula (Hill Notation)
C11H11NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 40702 external link
Packaging
5 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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