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948293-65-0 molecular structure
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8-ethylquinolin-4-amine

ChemBase ID: 805195
Molecular Formular: C11H12N2
Molecular Mass: 172.22638
Monoisotopic Mass: 172.10004839
SMILES and InChIs

SMILES:
c1c(c2c(cc1)c(ccn2)N)CC
Canonical SMILES:
CCc1cccc2c1nccc2N
InChI:
InChI=1S/C11H12N2/c1-2-8-4-3-5-9-10(12)6-7-13-11(8)9/h3-7H,2H2,1H3,(H2,12,13)
InChIKey:
GUFXJONLMHAAEL-UHFFFAOYSA-N

Cite this record

CBID:805195 http://www.chembase.cn/molecule-805195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-ethylquinolin-4-amine
IUPAC Traditional name
8-ethylquinolin-4-amine
Synonyms
4-AMINO-8-ETHYLQUINOLINE
CAS Number
948293-65-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22480 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22480 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) 0.9343523  LogD (pH = 7.4) 1.4786674 
Log P 2.2599645  Molar Refractivity 54.3219 cm3
Polarizability 21.769072 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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