7-Methoxy-1-naphthylacetonitrile

Inquiry

For Research Use Only.

Category

Impurities

Cat.No.

NP3700

CAS

138113-08-3

Product Name

7-Methoxy-1-naphthylacetonitrile

Structure

Description

2-(7-methoxynaphthalen-1-yl)acetonitrile is an impurity of agomelatine, an atypical antidepressant used to treat major depressive disorder.

Synonyms

(7-Methoxy-1-naphthyl)acetonitrile; 7-Methoxy-1-naphthaleneacetinitrile; 1-Cyanomethyl-7-methoxynaphthalene; 2-(7-Methoxy-1-naphthyl)acetonitrile

IUPAC Name

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

Molecular Weight

197.23

Molecular Formula

C13H11NO

Canonical SMILES

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

InChI

InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3

InChIKey

PYJMGUQHJINLLD-UHFFFAOYSA-N

Boiling Point

374.3±17.0 °C at 760 mmHg

Melting Point

61-63°C

Purity

98.0%

Density

1.1±0.1 g/cm3

Solubility

Soluble in Chloroform, Ethyl Acetate, Methanol

Appearance

Pale Beige to Dark Beige Solid

Storage

Store at -20°C

MDL

MFCD08704309

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