NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,4,7,10,13,16-hexaazacyclooctadecane
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IUPAC Traditional name
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1,4,7,10,13,16-hexaazacyclooctadecane
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Synonyms
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1,4,7,10,13,16-Hexaazacyclooctadecane
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Hexacyclen
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1,4,7,10,13,16-六氮杂环十八烷
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六环烯
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CAS Number
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EC Number
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MDL Number
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Beilstein 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
H Acceptors
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6
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H Donor
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6
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LogD (pH = 5.5)
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-12.480896
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LogD (pH = 7.4)
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-8.84543
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Log P
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-2.1864204
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Molar Refractivity
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76.3464 cm3
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Polarizability
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31.281649 Å3
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Polar Surface Area
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72.18 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
52045
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Other Notes Nitrogen analog of 18-crown-6 in which the secondary amines act as excellent electron donors to transition metal cations. Review1 Packaging 100 mg in poly tube |
PATENTS
PATENTS
PubChem Patent
Google Patent