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342618-57-9 molecular structure
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2,6-dimethylquinolin-4-amine

ChemBase ID: 813599
Molecular Formular: C11H12N2
Molecular Mass: 172.22638
Monoisotopic Mass: 172.10004839
SMILES and InChIs

SMILES:
c1cc2c(cc1C)c(cc(n2)C)N
Canonical SMILES:
Cc1ccc2c(c1)c(N)cc(n2)C
InChI:
InChI=1S/C11H12N2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-6H,1-2H3,(H2,12,13)
InChIKey:
QWIFPURWTSVNGN-UHFFFAOYSA-N

Cite this record

CBID:813599 http://www.chembase.cn/molecule-813599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethylquinolin-4-amine
IUPAC Traditional name
2,6-dimethylquinolin-4-amine
Synonyms
4-AMINO-2,6-DIMETHYLQUINOLINE
CAS Number
342618-57-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35477 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35477 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) 0.15077402  LogD (pH = 7.4) 0.6280299 
Log P 1.946766  Molar Refractivity 54.3124 cm3
Polarizability 21.684105 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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