4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[3-[3-[(4-chloro-2,5-dimethoxy-phenyl)amino]-3-oxo-propanoyl]phenyl]butanamide
[CAS# 68612-99-7]

Identification

• Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[3-[3-[(4-chloro-2,5-dimethoxy-phenyl)amino]-3-oxo-propanoyl]phenyl]butanamide
• Synonyms: N-(4-chloro-2,5-dimethoxyphenyl)-3-[m-[[4-(2,4-di-tert-pentylphenoxy)butyryl]amino]phenyl]-3-oxopropionamide
• Molecular Formula: C₃₇H₄₇ClN₂O₆
• Molecular Weight: 651.23
• CAS Registry Number: 68612-99-7
• EINECS: 271-911-0
• SMILES: COc3cc(NC(=O)CC(=O)c2cccc(NC(=O)CCCOc1ccc(cc1C(C)(C)CC)C(C)(C)CC)c2)c(cc3Cl)OC
• InChI: 1S/C37H47ClN2O6/c1-9-36(3,4)25-16-17-31(27(20-25)37(5,6)10-2)46-18-12-15-34(42)39-26-14-11-13-24(19-26)30(41)23-35(43)40-29-22-32(44-7)28(38)21-33(29)45-8/h11,13-14,16-17,19-22H,9-10,12,15,18,23H2,1-8H3,(H,39,42)(H,40,43)
• InChIKey: BTMSHXNCQMIAAQ-UHFFFAOYSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 803.747°C at 760 mmHg (Cal.)
• Flash point: 439.891°C (Cal.)