4-{3-[(3-Acetamidopropyl){4-[(3-Acetamidopropyl)(Acetyl)Amino]Butyl}Amino]-3-Oxopropyl}Phenyl Acetate
[CAS# 42920-02-5]

Identification

• Name: 4-{3-[(3-Acetamidopropyl){4-[(3-Acetamidopropyl)(Acetyl)Amino]Butyl}Amino]-3-Oxopropyl}Phenyl Acetate
• Synonyms: 4-(3-((4-(Acetyl[3-(acetylamino)propyl]amino)butyl)[3-(acetylamino)propyl]amino)-3-oxopropyl)phenyl acetate; 4-(3-((4-(Acetyl[3-(acetylamino)propyl]amino)butyl)[3-(acetylamino)propyl]amino)-3-oxopropyl)phenyl acetate #
• Molecular Formula: C₂₇H₄₂N₄O₆
• Molecular Weight: 518.65
• CAS Registry Number: 42920-02-5
• SMILES: O=C(Oc1ccc(cc1)CCC(=O)N(CCCCN(C(=O)C)CCCNC(=O)C)CCCNC(=O)C)C
• InChI: 1S/C27H42N4O6/c1-21(32)28-15-7-19-30(23(3)34)17-5-6-18-31(20-8-16-29-22(2)33)27(36)14-11-25-9-12-26(13-10-25)37-24(4)35/h9-10,12-13H,5-8,11,14-20H2,1-4H3,(H,28,32)(H,29,33)
• InChIKey: XJHGJFRANKYJIL-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 785.862°C at 760 mmHg (Cal.)
• Flash point: 429.074°C (Cal.)