Agomelatine Impurity F

CAT: 1299-RM-A056326-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A056326-01Size:10 mg

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CAS Number

138113-07-2

Synonyms

2- (7-methoxynaphthalen-1-yl) acetamide

Molecular Formula

C13H13NO2

Molecular Weight

215.25

Target Alternative Name

Agomelatine

Product Name Synonym

2- (7-methoxynaphthalen-1-yl) acetamide

Chemical Information

2-(7-Methoxynaphthalen-1-yl)acetamide

CAS Number	138113-07-2
PubChem CID	15149127
IUPAC Name	2-(7-methoxynaphthalen-1-yl)acetamide
Molecular Formula	C13H13NO2
Molecular Weight	215.25
XLogP	2
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	254

SMILES

COC1=CC2=C(C=CC=C2CC(=O)N)C=C1

InChI

InChI=1S/C13H13NO2/c1-16-11-6-5-9-3-2-4-10(7-13(14)15)12(9)8-11/h2-6,8H,7H2,1H3,(H2,14,15)

InChIKey

LGYBVRIYYBHYCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138113-07-2

CID: 15149127

Formula: C13H13NO2

MW: 215.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.25
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	215.094628657
Monoisotopic Mass	215.094628657
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	254
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