5-Methylmorpholin-3-one

CAT: 0127-OR1102799-05Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR1102799-05Size:10 g

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CAS Number

65922-85-2

MDL Number

MFCD07781030

Purity

97%

Smiles

O=C1NC (C) COC1

Chemical Information

5-Methylmorpholin-3-one

CAS Number	65922-85-2
PubChem CID	12400354
IUPAC Name	5-methylmorpholin-3-one
Molecular Formula	C5H9NO2
Molecular Weight	115.13
XLogP	-0.4
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

CC1COCC(=O)N1

InChI

InChI=1S/C5H9NO2/c1-4-2-8-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)

InChIKey

WWPWUBHXXRVWJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65922-85-2

CID: 12400354

Formula: C5H9NO2

MW: 115.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.13
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	115.063328530
Monoisotopic Mass	115.063328530
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR74046-01	6-Methylmorpholin-3-one
OR94861-01	4-Methylmorpholin-3-one
OR1040355-01	(S) -6-methylmorpholin-3-one
OR77580-01	(R) -6-methylmorpholin-3-one
OR94111-01	4-Methylmorpholin-2-one
OR1069628-01	(5-Methylmorpholin-2-yl) methanol
OR1056575-01	(R) - (4-Methylmorpholin-3-yl) methanamine
OR510000	(R) - (4-Methylmorpholin-3-yl) methanol
OR1054211-01	((2S,5R) -5-Methylmorpholin-2-yl) methanol
OR1034476-01	7-Chloro-4- ((S) -3-methylmorpholin-4-yl) -2- ((S) -3-methylmorpholin-4-yl) pyrido[2,3-d]pyrimidine

Catalog	Name
CFA95867-01	(6S) -6-Methylmorpholin-3-one
BAA00381-01	(3-Methylmorpholin-3-yl) methanol
UFC04071-01	(5-Methylmorpholin-2-yl) methanol
UND35348-01	[ (3S,5R) -3- (Aminomethyl) -5-methylmorpholin-3-yl]methanol
BAA12198-01	(3-Methylmorpholin-3-yl) methanol hydrochloride
TIA59470-01	(4-Benzyl-3-methylmorpholin-3-yl) methanol
TMD05190-01	[ (3S,5R) -3- (Aminomethyl) -4-benzyl-5-methylmorpholin-3-yl]methanol
GWB81954-01	4- (3-Methylmorpholin-4-yl) aniline
LLC09077-01	(4-Benzyl-5-methylmorpholin-2-yl) methanol
GWB81947-01	3-Fluoro-4- (3-methylmorpholin-4-yl) aniline