[4-(4-Methoxyphenyl)-2-Oxo-1-(Pyrrolidin-2-Ylmethyl)-6-(Trifluoromethyl)-4,5-Dihydro-3H-1-Benzazepin-3-Yl] Acetate Hydrochloride
[CAS# 128574-17-4]

Identification

• Name: [4-(4-Methoxyphenyl)-2-Oxo-1-(Pyrrolidin-2-Ylmethyl)-6-(Trifluoromethyl)-4,5-Dihydro-3H-1-Benzazepin-3-Yl] Acetate Hydrochloride
• Synonyms: Acetic Acid [4-(4-Methoxyphenyl)-2-Oxo-1-(2-Pyrrolidinylmethyl)-6-(Trifluoromethyl)-4,5-Dihydro-3H-1-Benzazepin-3-Yl] Ester Hydrochloride; Acetic Acid [2-Keto-4-(4-Methoxyphenyl)-1-(Pyrrolidin-2-Ylmethyl)-6-(Trifluoromethyl)-4,5-Dihydro-3H-1-Benzazepin-3-Yl] Ester Hydrochloride; [4-(4-Methoxyphenyl)-2-Oxo-1-(Pyrrolidin-2-Ylmethyl)-6-(Trifluoromethyl)-4,5-Dihydro-3H-1-Benzazepin-3-Yl] Ethanoate Hydrochloride
• Molecular Formula: C₂₅H₂₈ClF₃N₂O₄
• Molecular Weight: 512.96
• CAS Registry Number: 128574-17-4
• SMILES: [H+].C3=C2N(CC1NCCC1)C(=O)C(OC(=O)C)C(CC2=C(C=C3)C(F)(F)F)C4=CC=C(OC)C=C4.[Cl-]
• InChI: 1S/C25H27F3N2O4.ClH/c1-15(31)34-23-19(16-8-10-18(33-2)11-9-16)13-20-21(25(26,27)28)6-3-7-22(20)30(24(23)32)14-17-5-4-12-29-17;/h3,6-11,17,19,23,29H,4-5,12-14H2,1-2H3;1H
• InChIKey: BHXBSUQOVPAYIK-UHFFFAOYSA-N

Properties

• Boiling point: 600.8°C at 760 mmHg (Cal.)
• Flash point: 317.2°C (Cal.)