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benzene-1,2,4,5-tetracarboxamide
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ChemBase ID:
147872
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Molecular Formular:
C10H10N4O4
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Molecular Mass:
250.2108
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Monoisotopic Mass:
250.07020482
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SMILES and InChIs
SMILES:
c1c(c(cc(c1C(=O)N)C(=O)N)C(=O)N)C(=O)N
Canonical SMILES:
NC(=O)c1cc(C(=O)N)c(cc1C(=O)N)C(=O)N
InChI:
InChI=1S/C10H10N4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-2H,(H2,11,15)(H2,12,16)(H2,13,17)(H2,14,18)
InChIKey:
FGLFAMLQSRIUFO-UHFFFAOYSA-N
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Cite this record
CBID:147872 http://www.chembase.cn/molecule-147872.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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benzene-1,2,4,5-tetracarboxamide
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IUPAC Traditional name
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benzene-1,2,4,5-tetracarboxamide
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Synonyms
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Pyromellitamide
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1,2,4,5-Benzenetetracarboxamide
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1,2,4,5-苯四酰胺
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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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12.070002
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H Acceptors
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4
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H Donor
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4
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LogD (pH = 5.5)
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-2.624193
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LogD (pH = 7.4)
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-2.6241846
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Log P
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-2.624193
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Molar Refractivity
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62.3716 cm3
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Polarizability
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21.909567 Å3
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Polar Surface Area
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172.36 Å2
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Rotatable Bonds
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4
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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