NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(5-acetyl-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
|
|
|
IUPAC Traditional name
|
1-(5-acetyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
|
|
|
Synonyms
|
1,1'-(3,4-Dihydroisoquinoline-2,5(1H)-diyl)diethanone
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
15.976063
|
H Acceptors
|
2
|
H Donor
|
0
|
LogD (pH = 5.5)
|
0.7390729
|
LogD (pH = 7.4)
|
0.7390729
|
Log P
|
0.7390729
|
Molar Refractivity
|
62.5843 cm3
|
Polarizability
|
23.74155 Å3
|
Polar Surface Area
|
37.38 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Purity
|
95+%
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent