NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
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IUPAC Traditional name
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3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
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Synonyms
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HMA
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5-(N,N-Hexamethylene)amiloride
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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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16.81158
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H Acceptors
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8
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H Donor
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3
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LogD (pH = 5.5)
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1.3387114
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LogD (pH = 7.4)
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1.3414998
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Log P
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1.3415354
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Molar Refractivity
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83.1596 cm3
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Polarizability
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29.935312 Å3
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Polar Surface Area
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136.51 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Pharmacology Properties
Bioassay(PubChem)
European Hazard Symbols
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Toxic (T)
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data source
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German water hazard class
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3
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data source
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Risk Statements
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23/24/25
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data source
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Safety Statements
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22-36/37/39-45
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data source
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GHS Pictograms
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data source
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GHS Signal Word
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Danger
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Show
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GHS Hazard statements
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H301-H311-H331
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data source
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GHS Precautionary statements
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P261-P280-P301 + P310-P311
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data source
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Personal Protective Equipment
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Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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data source
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Storage Temperature
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2-8°C
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data source
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Gene Information
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human ... SCNN1A(6337), SCNN1B(6338), SCNN1D(6339), SCNN1G(6340), SLC9A1(6548), SLC9A5(6553)mouse ... Scnn1a(20276), Scnn1b(20277), Scnn1d(140501), Scnn1g(20278)rat ... Scnn1a(25122), Scnn1b(24767), Scnn1g(24768), Slc9a1(24782), Slc9a3(24784)
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data source
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent