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57470-53-8 molecular structure
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6-ethoxyimidazo[1,2-b]pyridazine

ChemBase ID: 65352
Molecular Formular: C8H9N3O
Molecular Mass: 163.17656
Monoisotopic Mass: 163.07456192
SMILES and InChIs

SMILES:
c1c(nn2c(c1)ncc2)OCC
Canonical SMILES:
CCOc1ccc2n(n1)ccn2
InChI:
InChI=1S/C8H9N3O/c1-2-12-8-4-3-7-9-5-6-11(7)10-8/h3-6H,2H2,1H3
InChIKey:
MXFQECQTZILHAC-UHFFFAOYSA-N

Cite this record

CBID:65352 http://www.chembase.cn/molecule-65352.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxyimidazo[1,2-b]pyridazine
IUPAC Traditional name
6-ethoxyimidazo[1,2-b]pyridazine
Synonyms
6-Ethoxyimidazo[1,2-b]pyridazine
CAS Number
57470-53-8
MDL Number
MFCD18782899
PubChem SID
162031091
PubChem CID
20076618

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070689 external link Add to cart Please log in.
Data Source Data ID
PubChem 20076618 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9536498  LogD (pH = 7.4) 1.4325131 
Log P 1.4465668  Molar Refractivity 55.2989 cm3
Polarizability 16.764515 Å3 Polar Surface Area 39.42 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
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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