Nicafenine
[CAS# 64039-88-9]

Identification

• Name: Nicafenine
• Synonyms: 2-(Pyridine-3-Carbonylamino)Ethyl 2-[(7-Chloro-4-Quinolyl)Amino]Benzoate; 2-[(7-Chloro-4-Quinolyl)Amino]Benzoic Acid 2-[[Oxo-(3-Pyridyl)Methyl]Amino]Ethyl Ester; 2-[(7-Chloro-4-Quinolyl)Amino]Benzoic Acid 2-(Pyridine-3-Carbonylamino)Ethyl Ester
• Molecular Formula: C₂₄H₁₉ClN₄O₃
• Molecular Weight: 446.89
• CAS Registry Number: 64039-88-9
• SMILES: C1=CC(=CC2=NC=CC(=C12)NC4=C(C(OCCNC(C3=CN=CC=C3)=O)=O)C=CC=C4)Cl
• InChI: 1S/C24H19ClN4O3/c25-17-7-8-18-21(9-11-27-22(18)14-17)29-20-6-2-1-5-19(20)24(31)32-13-12-28-23(30)16-4-3-10-26-15-16/h1-11,14-15H,12-13H2,(H,27,29)(H,28,30)
• InChIKey: XHMFPDMOPBXSDM-UHFFFAOYSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 702.576°C at 760 mmHg (Cal.)
• Flash point: 378.704°C (Cal.)