4-Methylmorpholine N-oxide monohydrate - CAS 70187-32-5

Catalog:	BB034093
Product Name:	4-Methylmorpholine N-oxide monohydrate
CAS:	70187-32-5
Synonyms:	4-methyl-4-oxidomorpholin-4-ium;hydrate

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Computed Properties

IUPAC Name:	4-methyl-4-oxidomorpholin-4-ium;hydrate
Description:	4-Methylmorpholine N-oxide monohydrate (CAS# 70187-32-5) is a useful research chemical.
Molecular Weight:	135.16
Molecular Formula:	C5H11NO2 · H2O
Canonical SMILES:	C[N+]1(CCOCC1)[O-].O
InChI:	InChI=1S/C5H11NO2.H2O/c1-6(7)2-4-8-5-3-6;/h2-5H2,1H3;1H2
InChI Key:	WAZPLXZGZWWXDQ-UHFFFAOYSA-N
Melting Point:	71-75 °C
Purity:	95 %
Appearance:	White to beige crystalline powder
Storage:	0-6 °C
MDL:	MFCD00149388
LogP:	-0.08020

Publication Number	Title	Priority Date
WO-2021140224-A1	Flexible soft wipe comprising individualized bast fibers	20200110
CN-111101215-A	Preparation method of cellulose fiber tows	20191224
DE-102019135615-A1	Hand dishwashing detergent composition with amylase	20191220
WO-2021123051-A1	Substituted thiophene carboxamides, thiophene carboxylic acids and derivatives thereof	20191220
DE-102019133382-A1	Hand dishwashing detergent composition with lipase	20191206

PMID	Publication Date	Title	Journal
17686653	20080301	N-Methylmorpholine-N-oxide ring cleavage registration by ESR under heating conditions of the Lyocell process	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
16568499	20060601	Electron spin resonance study of radicals generated in cellulose/N-methylmorpholine solutions after flash photolysis at 77 K	Magnetic resonance in chemistry : MRC
15261582	20040802	Kinetic and chemical studies on the isomerization of monosaccharides in N-methylmorpholine-N-oxide (NMMO) under Lyocell conditions	Carbohydrate research
12741793	20030501	A novel method for the determination of carbonyl groups in cellulosics by fluorescence labeling. 3. Monitoring oxidative processes	Biomacromolecules

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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:	78.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.08954328
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.08954328
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0