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915924-39-9 molecular structure
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methyl({[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl})amine

ChemBase ID: 307153
Molecular Formular: C8H15N3O
Molecular Mass: 169.2242
Monoisotopic Mass: 169.12151212
SMILES and InChIs

SMILES:
n1c(noc1CNC)CC(C)C
Canonical SMILES:
CNCc1onc(n1)CC(C)C
InChI:
InChI=1S/C8H15N3O/c1-6(2)4-7-10-8(5-9-3)12-11-7/h6,9H,4-5H2,1-3H3
InChIKey:
GCVYRKZJCRULMA-UHFFFAOYSA-N

Cite this record

CBID:307153 http://www.chembase.cn/molecule-307153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl})amine
IUPAC Traditional name
methyl({[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl})amine
Synonyms
1-(3-isobutyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CAS Number
915924-39-9
MDL Number
MFCD08691538

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) -0.21461792  LogD (pH = 7.4) 1.2022214 
Log P 1.3731873  Molar Refractivity 47.65 cm3
Polarizability 17.943047 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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