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112655-19-3 molecular structure
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2-(dimethoxymethyl)-1H-imidazole

ChemBase ID: 52855
Molecular Formular: C6H10N2O2
Molecular Mass: 142.1558
Monoisotopic Mass: 142.07422757
SMILES and InChIs

SMILES:
c1c[nH]c(n1)C(OC)OC
Canonical SMILES:
COC(c1ncc[nH]1)OC
InChI:
InChI=1S/C6H10N2O2/c1-9-6(10-2)5-7-3-4-8-5/h3-4,6H,1-2H3,(H,7,8)
InChIKey:
DSSLAGQNEMWAEH-UHFFFAOYSA-N

Cite this record

CBID:52855 http://www.chembase.cn/molecule-52855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethoxymethyl)-1H-imidazole
IUPAC Traditional name
2-(dimethoxymethyl)-1H-imidazole
Synonyms
2-(Dimethoxymethyl)-1H-imidazole
CAS Number
112655-19-3
MDL Number
MFCD03093091
PubChem SID
162057618
PubChem CID
11789305

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057546 external link Add to cart Please log in.
Data Source Data ID
PubChem 11789305 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.547365  H Acceptors
H Donor LogD (pH = 5.5) 9.485054E-4 
LogD (pH = 7.4) 0.15560085  Log P 0.15810579 
Molar Refractivity 35.8565 cm3 Polarizability 14.0870495 Å3
Polar Surface Area 47.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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