NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-tert-butyl-1-(3-sulfonatopropyl)pyridin-1-ium
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IUPAC Traditional name
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4-tert-butyl-1-(3-sulfonatopropyl)pyridin-1-ium
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Synonyms
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NDSB-256-4T
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SB256-4T
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SN2564T
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3-(4-tert-Butyl-1-pyridinio)-1-propanesulfonate
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CAS Number
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MDL 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
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-1.6548775
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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-3.7388866
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LogD (pH = 7.4)
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-3.738887
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Log P
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-2.5624883
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Molar Refractivity
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67.1524 cm3
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Polarizability
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26.993694 Å3
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Polar Surface Area
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61.08 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent