NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
benzyl(2-{2-[2-(benzylamino)ethoxy]phenoxy}ethyl)amine
|
|
|
IUPAC Traditional name
|
benzyl(2-{2-[2-(benzylamino)ethoxy]phenoxy}ethyl)amine
|
|
|
Synonyms
|
Bis(O-ethyl(phenylmethyl)amine) Catechol Dihydrochloride
|
N,N'-[1,2-Phenylenebis(oxy-2,1-ethanediyl)]bis-benzenemethanamine Dihydrochloride
|
Bis(O-ethylbenzylamine) Catechol Dihydrochloride
|
|
|
CAS Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
|
Data ID
|
Price
|
TRC
|
|
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
4
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-1.8469828
|
LogD (pH = 7.4)
|
0.7932085
|
Log P
|
4.3780427
|
Molar Refractivity
|
113.6584 cm3
|
Polarizability
|
45.030098 Å3
|
Polar Surface Area
|
42.52 Å2
|
Rotatable Bonds
|
12
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Solubility
|
Methanol
|
Show
data source
|
|
Apperance
|
White Solid
|
Show
data source
|
|
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent