(4S,5R)-3-[3-(Azepan-1-Yl)Propyl]-4-(2-Methylpropyl)-5-Phenyl-1,3-Oxazolidin-2-One
[CAS# 104454-71-9]

Identification

• Name: (4S,5R)-3-[3-(Azepan-1-Yl)Propyl]-4-(2-Methylpropyl)-5-Phenyl-1,3-Oxazolidin-2-One
• Synonyms: (4S,5R)-3-[3-(Azepan-1-Yl)Propyl]-4-Isobutyl-5-Phenyl-Oxazolidin-2-One; (4S,5R)-3-[3-(1-Azepanyl)Propyl]-4-Isobutyl-5-Phenyl-2-Oxazolidinone; (+)-(4S,5R)-3-(3-(Hexahydro-1H-Azepin-1-Yl)Propyl)-4-Isobutyl-5-Phenyl-2-Oxazolidinone
• Molecular Formula: C₂₂H₃₄N₂O₂
• Molecular Weight: 358.52
• CAS Registry Number: 104454-71-9
• SMILES: [C@@H]2([C@@H](C1=CC=CC=C1)OC(N2CCCN3CCCCCC3)=O)CC(C)C
• InChI: 1S/C22H34N2O2/c1-18(2)17-20-21(19-11-6-5-7-12-19)26-22(25)24(20)16-10-15-23-13-8-3-4-9-14-23/h5-7,11-12,18,20-21H,3-4,8-10,13-17H2,1-2H3/t20-,21+/m0/s1
• InChIKey: DQNMZSIJHFEYTM-LEWJYISDSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 532.375°C at 760 mmHg (Cal.)
• Flash point: 275.771°C (Cal.)