4-Methylmorpholine N-Oxide Solution 50Wt. % In Water

CAT: 1507-1738C 00100Size: 100 mLDry Ice: NoHazardous: No

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CAT#:1507-1738C 00100Size:100 mL

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CAS Number

7529-22-8

HSN Code

29349990

Chemical Information

Methyl morpholine oxide

N-methylmorpholine N-oxide is a morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.

CAS Number	7529-22-8
PubChem CID	82029
IUPAC Name	4-methyl-4-oxidomorpholin-4-ium
Molecular Formula	C5H11NO2
Molecular Weight	117.15
XLogP	-0.7
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	78

SMILES

C[N+]1(CCOCC1)[O-]

InChI

InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3

InChIKey

LFTLOKWAGJYHHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7529-22-8

CID: 82029

Formula: C5H11NO2

MW: 117.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.15
XLogP3	-0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	117.078978594
Monoisotopic Mass	117.078978594
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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