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3290-24-2 molecular structure
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3-ethyl-2-propylquinoline

ChemBase ID: 64734
Molecular Formular: C14H17N
Molecular Mass: 199.29148
Monoisotopic Mass: 199.13609955
SMILES and InChIs

SMILES:
c1cc2c(cc1)cc(c(n2)CCC)CC
Canonical SMILES:
CCCc1nc2ccccc2cc1CC
InChI:
InChI=1S/C14H17N/c1-3-7-13-11(4-2)10-12-8-5-6-9-14(12)15-13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKey:
CXHUPHNAWXTJFS-UHFFFAOYSA-N

Cite this record

CBID:64734 http://www.chembase.cn/molecule-64734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl-2-propylquinoline
IUPAC Traditional name
3-ethyl-2-propylquinoline
Synonyms
3-Ethyl-2-propylquinoline
CAS Number
3290-24-2
MDL Number
MFCD00483941
PubChem SID
162030473
PubChem CID
76791

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070062 external link Add to cart Please log in.
Data Source Data ID
PubChem 76791 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.16459  LogD (pH = 7.4) 4.362134 
Log P 4.365365  Molar Refractivity 63.4409 cm3
Polarizability 26.137585 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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