NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-[2-(tert-butylamino)-1-hydroxyethyl]-3-(hydroxymethyl)benzene-1,2-diol
|
|
|
IUPAC Traditional name
|
5-[2-(tert-butylamino)-1-hydroxyethyl]-3-(hydroxymethyl)benzene-1,2-diol
|
|
|
Synonyms
|
α1-[[(1,1-Dimethylethyl)amino]methyl]-4,5-dihydroxy-1,3-benzenedimethanol
|
5-Hydroxyalbuterol
|
5-Hydroxy Albuterol
|
|
|
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
Acid pKa
|
8.9816
|
H Acceptors
|
5
|
H Donor
|
5
|
LogD (pH = 5.5)
|
-2.5955467
|
LogD (pH = 7.4)
|
-1.5260448
|
Log P
|
-0.2835084
|
Molar Refractivity
|
69.8518 cm3
|
Polarizability
|
27.195528 Å3
|
Polar Surface Area
|
92.95 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent