NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,3-diazinane-2,4,5,6-tetrone tetrahydrate
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IUPAC Traditional name
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Synonyms
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2,4,5,6(1H,3H)-Pyrimidinetetrone
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2,4,5,6-Tetraoxypyrimidine
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5,6-Dioxyuracil
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Alloxan tetrahydrate
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2,4,5,6(1H,3H)-嘧啶四酮
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2,4,5,6-四氧嘧啶
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5,6-二氧尿嘧啶
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阿脲 四水合物
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CAS 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
Acid pKa
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7.0735855
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-0.9257667
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LogD (pH = 7.4)
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-1.39859
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Log P
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-0.91445774
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Molar Refractivity
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26.7716 cm3
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Polarizability
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10.342152 Å3
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Polar Surface Area
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92.34 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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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Melting Point
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~245 °C (dec.)
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data source
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European Hazard Symbols
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Harmful (Xn)
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Show
data source
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MSDS Link
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German water hazard class
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3
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Show
data source
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Risk Statements
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20/21/22-36/37/38
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data source
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Safety Statements
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26-36
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data source
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GHS Pictograms
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Show
data source
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GHS Signal Word
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Warning
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data source
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GHS Hazard statements
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H302-H312-H315-H319-H332-H335
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data source
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GHS Precautionary statements
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P261-P280-P305 + P351 + P338
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data source
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Personal Protective Equipment
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dust mask type N95 (US), Eyeshields, Gloves
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Show
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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Purity
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≥98.0% (TLC)
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data source
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Grade
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purum p.a.
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data source
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Impurities
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30-35% water
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data source
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Quality
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for the detection of Ag, Cd, Co, Fe, HCN, Hg, Mg, Mn, Ni, Zn
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Show
data source
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Empirical Formula (Hill Notation)
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C4H2N2O4 · 4H2O
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Show
data source
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
05760
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Other Notes For the experimental induction of diabetes1,2; Inhibitor of mitochondrial aconitase3 |
PATENTS
PATENTS
PubChem Patent
Google Patent