Ethyl 4- (morpholinomethyl) benzoate

CAT: 0127-OR1056852-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1056852-01Size:100 mg

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CAS Number

128982-39-8

MDL Number

MFCD31726488

Purity

97%

Smiles

O=C(OCC)C1=CC=C(CN2CCOCC2)C=C1

Chemical Information

Ethyl 4-(morpholin-4-ylmethyl)benzoate

CAS Number	128982-39-8
PubChem CID	19861869
IUPAC Name	ethyl 4-(morpholin-4-ylmethyl)benzoate
Molecular Formula	C14H19NO3
Molecular Weight	249.30
XLogP	1.6
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	256

SMILES

CCOC(=O)C1=CC=C(C=C1)CN2CCOCC2

InChI

InChI=1S/C14H19NO3/c1-2-18-14(16)13-5-3-12(4-6-13)11-15-7-9-17-10-8-15/h3-6H,2,7-11H2,1H3

InChIKey

SFKYRKQVZFJTCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128982-39-8

CID: 19861869

Formula: C14H19NO3

MW: 249.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.30
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	249.13649347
Monoisotopic Mass	249.13649347
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	256
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

Catalog	Name
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OR311007-01	Ethyl 4- (carbamoylamino) benzoate
OR30551-01	Ethyl 4- (bromomethyl) benzoate
OR1099296-01	Ethyl 4- (methylthio) benzoate
PC408828	Ethyl 4- (pentafluoroethyl) benzoate
OR79838-01	Ethyl 4- (dimethylamino) benzoate
OR10699	Ethyl 4- (diethoxyphosphoryl) benzoate
PC3288-01	Ethyl 4- (trifluoromethyl) benzoate
PC1004394-01	Ethyl 4- (difluoromethyl) benzoate

Catalog	Name
3122315	Ethyl benzoate
HY-W017439R-01	Ethyl benzoate (Standard)
E05290-01	Ethyl benzoate 98%
SBA26558-01	Ethyl 4- (ethylamino) benzoate
PDA86227-01	Ethyl 4- (hydrazinesulfonyl) benzoate
NBA44621-01	Ethyl 2- (ethylamino) benzoate
RG-E200814-01	Ethyl 4- (Dimethylamino) Benzoate
sc-235031	(Ethyl benzoate) tricarbonylchromium (0)
sc-279048	Ethyl 2- (ethoxycarbonylmethoxy) benzoate
sc-269094	Ethyl 3-trifluoromethyl-benzoate