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1177321-30-0 molecular structure
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[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine

ChemBase ID: 307258
Molecular Formular: C6H11N3O
Molecular Mass: 141.17104
Monoisotopic Mass: 141.09021199
SMILES and InChIs

SMILES:
n1c(noc1CC)CNC
Canonical SMILES:
CNCc1noc(n1)CC
InChI:
InChI=1S/C6H11N3O/c1-3-6-8-5(4-7-2)9-10-6/h7H,3-4H2,1-2H3
InChIKey:
BIJFXVFSSOVINP-UHFFFAOYSA-N

Cite this record

CBID:307258 http://www.chembase.cn/molecule-307258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
IUPAC Traditional name
[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
Synonyms
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CAS Number
1177321-30-0
MDL Number
MFCD09055313

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8059921  LogD (pH = 7.4) 0.51563585 
Log P 0.6450173  Molar Refractivity 38.5004 cm3
Polarizability 14.278671 Å3 Polar Surface Area 50.95 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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