N-[2-(Hexahydro-1H-Azepin-1-Yl)Ethyl]Phenylethylmalonamidic Acid Ethyl Ester
[CAS# 96064-46-9]

Identification

• Name: N-[2-(Hexahydro-1H-Azepin-1-Yl)Ethyl]Phenylethylmalonamidic Acid Ethyl Ester
• Synonyms: Ethyl 2-[2-(Azepan-1-Yl)Ethylcarbamoyl]-2-Phenyl-Butanoate; 2-[[2-(1-Azepanyl)Ethylamino]-Oxomethyl]-2-Phenylbutanoic Acid Ethyl Ester; 2-[2-(Azepan-1-Yl)Ethylcarbamoyl]-2-Phenyl-Butyric Acid Ethyl Ester
• Molecular Formula: C₂₁H₃₂N₂O₃
• Molecular Weight: 360.50
• CAS Registry Number: 96064-46-9
• SMILES: C2=C(C(C(=O)NCCN1CCCCCC1)(C(OCC)=O)CC)C=CC=C2
• InChI: 1S/C21H32N2O3/c1-3-21(20(25)26-4-2,18-12-8-7-9-13-18)19(24)22-14-17-23-15-10-5-6-11-16-23/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3,(H,22,24)
• InChIKey: ODOFRNAMDGQWDQ-UHFFFAOYSA-N

Properties

• Density: 1.062g/cm³ (Cal.)
• Boiling point: 533.825°C at 760 mmHg (Cal.)
• Flash point: 276.648°C (Cal.)