8-oxa-3-azabicyclo[3.2.1]octane - CAS 280-13-7

Catalog:	BB019736
Product Name:	8-oxa-3-azabicyclo[3.2.1]octane
CAS:	280-13-7
Synonyms:	8-oxa-3-azabicyclo[3.2.1]octane; 8-oxa-3-azabicyclo[3.2.1]octane

Technical Data

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Computed Properties

IUPAC Name:	8-oxa-3-azabicyclo[3.2.1]octane
Description:	8-oxa-3-azabicyclo[3.2.1]octane (CAS# 280-13-7) is a useful research chemical.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	C1CC2CNCC1O2
InChI:	InChI=1S/C6H11NO/c1-2-6-4-7-3-5(1)8-6/h5-7H,1-4H2
InChI Key:	POOPWPIOIMBTOH-UHFFFAOYSA-N
Boiling Point:	176.6 °C at 760 mmHg
Density:	1.028 g/cm³
LogP:	0.46600

Publication Number	Title	Priority Date
WO-2021127283-A2	Irak degraders and uses thereof	20191217
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WO-2021104441-A1	Polyaromatic compound as egfr kinase inhibitor	20191129
WO-2021097352-A1	Isoxazole derivatives targeting tacc3 as anticancer agents	20191114
WO-2021077119-A1	Antimicrobial organosilanes	20191018

PMID	Publication Date	Title	Journal
19897362	20100101	Discovery of 2-arylthieno[3,2-d]pyrimidines containing 8-oxa-3-azabi-cyclo[3.2.1]octane in the 4-position as potent inhibitors of mTOR with selectivity over PI3K	Bioorganic & medicinal chemistry letters

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Complexity:	84.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0