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39614-78-3 molecular structure
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6-ethoxypyridazin-3-amine

ChemBase ID: 67163
Molecular Formular: C6H9N3O
Molecular Mass: 139.15516
Monoisotopic Mass: 139.07456192
SMILES and InChIs

SMILES:
c1(ccc(nn1)OCC)N
Canonical SMILES:
CCOc1ccc(nn1)N
InChI:
InChI=1S/C6H9N3O/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3,(H2,7,8)
InChIKey:
GMEONBANQFZLSE-UHFFFAOYSA-N

Cite this record

CBID:67163 http://www.chembase.cn/molecule-67163.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-ethoxypyridazin-3-amine
IUPAC Traditional name
6-ethoxypyridazin-3-amine
Synonyms
6-Ethoxypyridazin-3-amine
CAS Number
39614-78-3
MDL Number
MFCD08460377
PubChem SID
162032899
PubChem CID
3084748

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3084748 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33316976  LogD (pH = 7.4) 0.33490703 
Log P 0.33492923  Molar Refractivity 40.3036 cm3
Polarizability 14.070517 Å3 Polar Surface Area 61.03 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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