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915922-00-8 molecular structure
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[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](propan-2-yl)amine

ChemBase ID: 307222
Molecular Formular: C8H15N3O
Molecular Mass: 169.2242
Monoisotopic Mass: 169.12151212
SMILES and InChIs

SMILES:
n1c(onc1CC)CNC(C)C
Canonical SMILES:
CCc1noc(n1)CNC(C)C
InChI:
InChI=1S/C8H15N3O/c1-4-7-10-8(12-11-7)5-9-6(2)3/h6,9H,4-5H2,1-3H3
InChIKey:
IDWQREWRKBJTBS-UHFFFAOYSA-N

Cite this record

CBID:307222 http://www.chembase.cn/molecule-307222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](propan-2-yl)amine
IUPAC Traditional name
[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](isopropyl)amine
Synonyms
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CAS Number
915922-00-8
MDL Number
MFCD08691559

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) -0.31724688  LogD (pH = 7.4) 1.1834748 
Log P 1.4052958  Molar Refractivity 47.6678 cm3
Polarizability 17.943115 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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