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MFCD00480373 molecular structure
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1,4-dimethoxy-decahydroquinoxaline-2,3-dione

ChemBase ID: 74030
Molecular Formular: C10H16N2O4
Molecular Mass: 228.24504
Monoisotopic Mass: 228.111007
SMILES and InChIs

SMILES:
N1(C2CCCCC2N(C(=O)C1=O)OC)OC
Canonical SMILES:
CON1C2CCCCC2N(C(=O)C1=O)OC
InChI:
InChI=1S/C10H16N2O4/c1-15-11-7-5-3-4-6-8(7)12(16-2)10(14)9(11)13/h7-8H,3-6H2,1-2H3
InChIKey:
VTIORTGFGKWWEJ-UHFFFAOYSA-N

Cite this record

CBID:74030 http://www.chembase.cn/molecule-74030.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-dimethoxy-decahydroquinoxaline-2,3-dione
IUPAC Traditional name
1,4-dimethoxy-hexahydroquinoxaline-2,3-dione
Synonyms
1,4-Dimethoxyperhydroquinoxalin-2,3-dione
MDL Number
MFCD00480373
PubChem SID
162038949
PubChem CID
2736195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR0406 external link Add to cart Please log in.
Data Source Data ID
PubChem 2736195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5622173  LogD (pH = 7.4) 0.5622173 
Log P 0.5622173  Molar Refractivity 54.4846 cm3
Polarizability 21.628454 Å3 Polar Surface Area 59.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
128-131°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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