N-[2-[3,4,5,6,7,8-Hexahydroazocin-1(2H)-Yl]Ethyl]Phenylethylmalonamidic Acid Ethyl Ester
[CAS# 100739-57-9]

Identification

• Name: N-[2-[3,4,5,6,7,8-Hexahydroazocin-1(2H)-Yl]Ethyl]Phenylethylmalonamidic Acid Ethyl Ester
• Synonyms: Ethyl 2-[2-(Azocan-1-Yl)Ethylcarbamoyl]-2-Phenyl-Butanoate; 2-[[2-(1-Azocanyl)Ethylamino]-Oxomethyl]-2-Phenylbutanoic Acid Ethyl Ester; 2-[2-(Azocan-1-Yl)Ethylcarbamoyl]-2-Phenyl-Butyric Acid Ethyl Ester
• Molecular Formula: C₂₂H₃₄N₂O₃
• Molecular Weight: 374.52
• CAS Registry Number: 100739-57-9
• SMILES: C2=C(C(C(=O)NCCN1CCCCCCC1)(C(OCC)=O)CC)C=CC=C2
• InChI: 1S/C22H34N2O3/c1-3-22(21(26)27-4-2,19-13-9-8-10-14-19)20(25)23-15-18-24-16-11-6-5-7-12-17-24/h8-10,13-14H,3-7,11-12,15-18H2,1-2H3,(H,23,25)
• InChIKey: WKFDHVSCSSVMOH-UHFFFAOYSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 545.793°C at 760 mmHg (Cal.)
• Flash point: 283.886°C (Cal.)