4-Benzyl-5- (hydroxymethyl) morpholin-3-one

CAT: 0127-OR1046933-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1046933-01Size:100 mg

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CAS Number

106910-80-9

Purity

95%

Smiles

O=C1N(CC2=CC=CC=C2)C(CO)COC1

Chemical Information

4-Benzyl-5-(hydroxymethyl)morpholin-3-one

CAS Number	106910-80-9
PubChem CID	13543373
IUPAC Name	4-benzyl-5-(hydroxymethyl)morpholin-3-one
Molecular Formula	C12H15NO3
Molecular Weight	221.25
XLogP	0.3
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

C1C(N(C(=O)CO1)CC2=CC=CC=C2)CO

InChI

InChI=1S/C12H15NO3/c14-7-11-8-16-9-12(15)13(11)6-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2

InChIKey

CWCBGMHUHRXTCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106910-80-9

CID: 13543373

Formula: C12H15NO3

MW: 221.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.25
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	221.10519334
Monoisotopic Mass	221.10519334
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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
OR82817-01	5- (Hydroxymethyl) morpholin-3-one
OR1065694-01	(R) -5- (Hydroxymethyl) morpholin-3-one
OR87807-01	(S) -5- (Hydroxymethyl) morpholin-3-one
OR84481-01	6- (Hydroxymethyl) morpholin-3-one
OR1011437-01	4-Benzyl-2-Hydroxy-Morpholin-3-One
OR23275	5- (Hydroxymethyl) -2- (morpholin-4-yl) pyridine
OR93339-01	(S) -6- (Hydroxymethyl) morpholin-3-one
OR77831-01	(6R) -6- (Hydroxymethyl) morpholin-3-one
OR312342	4-Benzyl-3- (hydroxymethyl) morpholine-3-carbonitrile
OR471039-01	(S) -4-Benzyl-2- (hydroxymethyl) morpholine

Catalog	Name
434628-01	5- (Hydroxymethyl) -3- (4-octylbenzyl) -5- (4-octylphenethyl) morpholin-2-one
sc-262328	5- (Hydroxymethyl) -2-morpholin-4-ylpyridine
sc-262327	5- (Hydroxymethyl) -2-morpholin-4-yl-1,3-thiazole
RG-C092045-01	(R) -3-benzyl-4- (hydroxymethyl) oxazolidin-2-one
SID07708-01	8a- (Hydroxymethyl) -hexahydro-1H-imidazolidino[4,3-c]morpholin-3-one
sc-264675	1-Benzyl-3-hydroxymethyl-4-piperidone
WDA44969	1-Benzyl-4- (hydroxymethyl) pyrrolidin-2-one
YXC26862-01	4-Benzyl-3- (hydroxymethyl) morpholine-3-carbonitrile
LLC99359-01	1-[2- (Hydroxymethyl) morpholin-4-yl]ethan-1-one
FB146871-01	N-Benzyl-3- (hydroxymethyl) azetidine