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1041578-67-9 molecular structure
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1-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

ChemBase ID: 307158
Molecular Formular: C5H9N3O
Molecular Mass: 127.14446
Monoisotopic Mass: 127.07456192
SMILES and InChIs

SMILES:
n1c(onc1C)C(N)C
Canonical SMILES:
Cc1noc(n1)C(N)C
InChI:
InChI=1S/C5H9N3O/c1-3(6)5-7-4(2)8-9-5/h3H,6H2,1-2H3
InChIKey:
VZKFDBDBHDMKHK-UHFFFAOYSA-N

Cite this record

CBID:307158 http://www.chembase.cn/molecule-307158.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
IUPAC Traditional name
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
Synonyms
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CAS Number
1041578-67-9
MDL Number
MFCD11123108

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) -1.7126082  LogD (pH = 7.4) -0.14966737 
Log P 0.12864229  Molar Refractivity 33.5928 cm3
Polarizability 12.451118 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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