NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-amino-5-(chloromethyl)-3-cyanopyrazin-1-ium-1-olate
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IUPAC Traditional name
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2-amino-5-(chloromethyl)-3-cyanopyrazin-1-ium-1-olate
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Synonyms
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3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
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2-amino-5-(chloromethyl)-3-cyanopyrazin-1-ium-1-olate
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3-氨基-6-(氯甲基)-2-吡嗪甲腈-4-氧化物
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CAS Number
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EC 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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14.286872
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-0.38364348
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LogD (pH = 7.4)
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-0.3836435
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Log P
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-0.38364345
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Molar Refractivity
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44.0502 cm3
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Polarizability
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15.818288 Å3
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Polar Surface Area
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88.16 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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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent