NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol
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IUPAC Traditional name
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4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol
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Synonyms
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Dehydroxy Optaflexx
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Dehydroxy Paylean
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Dehydroxy Topmax 9
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4-[3-[[2-(4-Hydroxyphenyl)ethyl]amino]butyl]phenol
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Dehydroxy Ractopamine
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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9.792748
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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0.85535985
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LogD (pH = 7.4)
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1.2985166
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Log P
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3.175557
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Molar Refractivity
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86.4102 cm3
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Polarizability
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33.572594 Å3
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Polar Surface Area
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52.49 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent