NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,2,3,6-tetrahydropyridine-4-carboxylic acid hydrochloride
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IUPAC Traditional name
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isoguvacine hydrochloride
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Synonyms
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1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride
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Isoguvacine hydrochloride
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1,2,5,6,-Tetrahydroisonicotinic acid Hydrochloride
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ISOGUVACINE
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1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid hydrochloride
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Iso Guvacine Hydrochloride
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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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4.3438463
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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-2.608818
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LogD (pH = 7.4)
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-2.5859718
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Log P
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-2.5858214
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Molar Refractivity
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33.7972 cm3
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Polarizability
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12.87252 Å3
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Polar Surface Area
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49.33 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Pharmacology Properties
Product Information
Bioassay(PubChem)
Solubility
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H2O: soluble (refrigerate if not used immediately.)
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methanol: slightly soluble
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neutral and acidic solutions: stable (in basic solutions the free amine can oxidize easily)
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Apperance
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white solid
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Storage Condition
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Room Temperature (15-30°C)
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Storage Warning
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IRRITANT
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European Hazard Symbols
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Irritant (Xi)
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MSDS Link
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German water hazard class
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3
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Risk Statements
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36/37/38
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Safety Statements
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26-36
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TSCA Listed
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false
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GHS Pictograms
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GHS Signal Word
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Warning
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GHS Hazard statements
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H315-H319-H335
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GHS Precautionary statements
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P261-P305 + P351 + P338
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Personal Protective Equipment
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dust mask type N95 (US), Eyeshields, Gloves
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Gene Information
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human ... GABRA1(2554), GABRA2(2555), GABRA3(2556), GABRA4(2557), GABRA5(2558), GABRA6(2559), GABRB1(2560), GABRB2(2561), GABRB3(2562)
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DETAILS
DETAILS
MP Biomedicals
Sigma Aldrich
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Falch, E., et al.: J. Med. Chem., 24, 285 (1981)
- • Kennedy, H., et al.: J. Biol. Chem., 274, 13281 (1981)
- • Bain, J., et al.: Biochem. J., 408, 297 (1981)
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PATENTS
PATENTS
PubChem Patent
Google Patent