5,5-Dimethylmorpholin-3-one - CAS 127958-62-7

Catalog:	BB006843
Product Name:	5,5-Dimethylmorpholin-3-one
CAS:	127958-62-7
Synonyms:	5,5-dimethyl-3-morpholinone; 5,5-dimethylmorpholin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5,5-dimethylmorpholin-3-one
Description:	5,5-Dimethylmorpholin-3-one (CAS# 127958-62-7) is a useful research chemical.
Molecular Weight:	129.16
Molecular Formula:	C6H11NO2
Canonical SMILES:	CC1(COCC(=O)N1)C
InChI:	InChI=1S/C6H11NO2/c1-6(2)4-9-3-5(8)7-6/h3-4H2,1-2H3,(H,7,8)
InChI Key:	UMKITYNQJPXUST-UHFFFAOYSA-N
Boiling Point:	273.7 °C at 760 mmHg
Density:	1.005 g/cm³
MDL:	MFCD10040125
LogP:	0.24020

Publication Number	Title	Priority Date
WO-2021055627-A1	Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments	20190917
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917
US-2021070761-A1	Cdk inhibitors and their use as pharmaceuticals	20190911
WO-2021050824-A1	Cdk inhibitors and their use as pharmaceuticals	20190911
WO-2020260871-A1	New compounds and methods	20190624

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Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.078978594
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.078978594
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2