N-(4-Cyanophenyl)glycine

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For Research Use Only.

Category

Impurities

Cat.No.

NP3512

CAS

42288-26-6

Product Name

N-(4-Cyanophenyl)glycine

Structure

Product Details

Description

N-(4-Cyanophenyl)glycine is an impurity of Dabigatran, an anticoagulant used to treat and prevent blood clots and to prevent stroke in people with atrial fibrillation.

Synonyms

[(4-cyanophenyl)amino]acetic acid; 2-(4-cyanoanilino)acetic acid; N-(p-Cyanophenyl)glycine

IUPAC Name

2-(4-cyanoanilino)acetic acid

Molecular Weight

176.17

Molecular Formula

C9H8N2O2

Canonical SMILES

C1=CC(=CC=C1C#N)NCC(=O)O

InChI

InChI=1S/C9H8N2O2/c10-5-7-1-3-8(4-2-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)

InChIKey

KJRQMXRCZULRHF-UHFFFAOYSA-N

Boiling Point

447.2±30.0 °C at 760 mmHg

Melting Point

237 °C(dec.)

Purity

>98% by HPLC

Density

1.3±0.1 g/cm3

Solubility

Soluble in Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)

Appearance

White to Pale Yellow Solid

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