NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethan-1-one
|
|
|
IUPAC Traditional name
|
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone
|
|
|
Synonyms
|
1-(3,4-Dihydroxyphenyl)-2-[(1,1-dimethylethyl)amino]ethanone
|
1-Oxo Colterol
|
|
|
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
|
3
|
LogD (pH = 5.5)
|
-0.99761397
|
LogD (pH = 7.4)
|
0.5920479
|
Log P
|
0.76672894
|
Molar Refractivity
|
62.3625 cm3
|
Polarizability
|
24.165949 Å3
|
Polar Surface Area
|
69.56 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
Acid pKa
|
7.5878487
|
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent