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1198-37-4 molecular structure
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2,4-dimethylquinoline

ChemBase ID: 796676
Molecular Formular: C11H11N
Molecular Mass: 157.21174
Monoisotopic Mass: 157.08914936
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(cc(n2)C)C
Canonical SMILES:
Cc1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
InChIKey:
ZTNANFDSJRRZRJ-UHFFFAOYSA-N

Cite this record

CBID:796676 http://www.chembase.cn/molecule-796676.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethylquinoline
IUPAC Traditional name
2,4-dimethylquinoline
Synonyms
2,4-DiMethylquinoline
CAS Number
1198-37-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3886 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3886 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.217294  LogD (pH = 7.4) 2.761022 
Log P 2.775692  Molar Refractivity 49.612 cm3
Polarizability 20.600996 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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