Homomorpholin-5-one - CAS 10341-26-1

Catalog:	BB001108
Product Name:	Homomorpholin-5-one
CAS:	10341-26-1
Synonyms:	1,4-oxazepan-5-one; 1,4-oxazepan-5-one

Technical Data

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Computed Properties

IUPAC Name:	1,4-oxazepan-5-one
Description:	Homomorpholin-5-one (CAS# 10341-26-1) is a useful research chemical.
Molecular Weight:	115.13
Molecular Formula:	C5H9NO2
Canonical SMILES:	C1COCCNC1=O
InChI:	InChI=1S/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
InChI Key:	OXDIYMHNQAWSCL-UHFFFAOYSA-N
Boiling Point:	311.1 °C at 760 mmHg
Density:	1.068 g/cm³
Appearance:	White solid
MDL:	MFCD02683091
LogP:	-0.14830

Publication Number	Title	Priority Date
WO-2021113492-A1	Cyclic compounds and methods of using same	20191206
US-2020354346-A1	Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof	20190510
US-2020354352-A1	Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof	20190510
WO-2020231806-A1	Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof	20190510
WO-2020231808-A1	Heteroarylaminopyrimidine amide autophagy inhibitors and methods of use thereof	20190510

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	92.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.063328530
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.063328530
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9