5-Methoxy-2-morpholin-4-ylbenzonitrile

CAT: 0127-OR1003603-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003603-01Size:50 mg

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CAS Number

1287217-53-1

MDL Number

MFCD18089259

Purity

95%

Smiles

COc1ccc(N2CCOCC2)c(c1)C#N

Chemical Information

5-Methoxy-2-morpholin-4-ylbenzonitrile

CAS Number	1287217-53-1
PubChem CID	53256707
IUPAC Name	5-methoxy-2-morpholin-4-ylbenzonitrile
Molecular Formula	C12H14N2O2
Molecular Weight	218.25
XLogP	1.4
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	267

SMILES

COC1=CC(=C(C=C1)N2CCOCC2)C#N

InChI

InChI=1S/C12H14N2O2/c1-15-11-2-3-12(10(8-11)9-13)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3

InChIKey

LVAMPJYCVVDHAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1287217-53-1

CID: 53256707

Formula: C12H14N2O2

MW: 218.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.25
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	218.105527694
Monoisotopic Mass	218.105527694
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	267
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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OR75345-01	3-Isoxazol-5-ylbenzonitrile
OR1037575-01	4-Pyridin-3-ylbenzonitrile
OR111240-01	4-Azepan-1-ylbenzonitrile
OR111170-01	4-Imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
OR111163	4-Imidazo[1,2-a]pyridin-2-ylbenzonitrile
OR85502-01	2- (Morpholin-4-yl) -5- (morpholine-4-sulfonyl) aniline
OR110070	2-Morpholin-4-yl-5- (morpholin-4-ylsulfonyl) benzoic acid

Catalog	Name
sc-290780	5-amino-2-morpholin-4-ylbenzonitrile
sc-356760A	3-Morpholin-4-ylbenzonitrile
sc-308198	2-Methoxy-5-morpholin-4-yl-benzoic acid
sc-323181	4-Methoxy-2-morpholin-4-yl-thiazole-5-carbaldehyde
sc-274959	2-methoxy-5- (morpholin-4-ylsulfonyl) benzoic acid
sc-308186	2-Methoxy-4-morpholin-4-yl-benzaldehyde
TRC-M152150-500MG	4-Methoxy-5-[3-(morpholin-4-yl)propoxy]-2-nitrobenzonitrile
sc-283786	3-methoxy-4- (2-morpholin-4-ylethoxy) benzaldehyde
sc-284279	4-methoxy-3- (2-morpholin-4-ylethoxy) benzaldehyde
sc-350736	5-Amino-N- (4-methoxy-phenyl) -2-morpholin-4-yl-benzenesulfonamide