Ethyl 3-[3-Amino-4-(methylamino)-<i>N</i>- (2-pyridyl)benzamido]propionate· , ≥98.0% , 212322-56-0

CAS NO.：212322-56-0

Empirical Formula: C18H22N4O3

Molecular Weight: 342.4

MDL number: MFCD09833624

EINECS: 606-728-0

PRODUCT Properties

• Melting point: 104.0 to 108.0 °C
• Boiling point: 576.2±50.0 °C(Predicted)
• Density: 1.261±0.06 g/cm3(Predicted)
• storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 5.37±0.11(Predicted)
• color: Off-White to Pale Beige
• InChI: InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3
• InChIKey: PCPATNZTKBOKOY-UHFFFAOYSA-N
• SMILES: N(C1N=CC=CC=1)(CCC(=O)OCC)C(C1C=CC(NC)=C(N)C=1)=O
• LogP: 1.37 at 20℃

Description and Uses

Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate is the impurity of Dabigatran (D100090), which is a nonpeptide, direct thrombin inhibitor and is antithrombotic.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• HS Code: 2933.39.9200