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936940-40-8 molecular structure
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1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

ChemBase ID: 307159
Molecular Formular: C6H11N3O
Molecular Mass: 141.17104
Monoisotopic Mass: 141.09021199
SMILES and InChIs

SMILES:
n1c(onc1CC)C(N)C
Canonical SMILES:
CCc1noc(n1)C(N)C
InChI:
InChI=1S/C6H11N3O/c1-3-5-8-6(4(2)7)10-9-5/h4H,3,7H2,1-2H3
InChIKey:
OVOVGJQTNKAODY-UHFFFAOYSA-N

Cite this record

CBID:307159 http://www.chembase.cn/molecule-307159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
IUPAC Traditional name
1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine
Synonyms
1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
936940-40-8
MDL Number
MFCD09802311

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0626212  LogD (pH = 7.4) 0.49981153 
Log P 0.7776122  Molar Refractivity 38.2197 cm3
Polarizability 14.27813 Å3 Polar Surface Area 64.94 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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