2,3,4,5-Tetrahydro-3-[(4-Methylphenyl)Sulfonyl]-1H-3-Benzazepin-1-One
[CAS# 15218-07-2]

Identification

• Name: 2,3,4,5-Tetrahydro-3-[(4-Methylphenyl)Sulfonyl]-1H-3-Benzazepin-1-One
• Synonyms: 1H-3-Benzazepin-1-One, 2,3,4,5-Tetrahydro-3-(P-Tolylsulfonyl)-; 1H-3-Benzazepin-1-One, 2,3,4,5-Tetrahydro-3-[(4-Methylphenyl)Sulfonyl]-; Nsc114931
• Molecular Formula: C₁₇H₁₇NO₃S
• Molecular Weight: 315.39
• CAS Registry Number: 15218-07-2
• SMILES: C1=CC=CC3=C1C(CN([S](C2=CC=C(C)C=C2)(=O)=O)CC3)=O
• InChI: 1S/C17H17NO3S/c1-13-6-8-15(9-7-13)22(20,21)18-11-10-14-4-2-3-5-16(14)17(19)12-18/h2-9H,10-12H2,1H3
• InChIKey: LHSCRVKJECEXST-UHFFFAOYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 498.624°C at 760 mmHg (Cal.)
• Flash point: 255.359°C (Cal.)