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1209845-95-3 molecular structure
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methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine

ChemBase ID: 309026
Molecular Formular: C6H11N3O
Molecular Mass: 141.17104
Monoisotopic Mass: 141.09021199
SMILES and InChIs

SMILES:
n1c(onc1C)C(NC)C
Canonical SMILES:
CNC(c1onc(n1)C)C
InChI:
InChI=1S/C6H11N3O/c1-4(7-3)6-8-5(2)9-10-6/h4,7H,1-3H3
InChIKey:
LZOUKPQZKZNAIN-UHFFFAOYSA-N

Cite this record

CBID:309026 http://www.chembase.cn/molecule-309026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
IUPAC Traditional name
methyl[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amine
Synonyms
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
1209845-95-3
MDL Number
MFCD13188609

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1449608  LogD (pH = 7.4) 0.3215269 
Log P 0.52054316  Molar Refractivity 38.3674 cm3
Polarizability 14.27835 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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