Asaphan
[CAS# 10065-57-3]

Identification

• Name: Asaphan
• Synonyms: Ethyl 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-3-Phenyl-Propanoate; 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxopropyl]Amino]-3-Phenylpropanoic Acid Ethyl Ester; 2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-3-Phenyl-Propionic Acid Ethyl Ester
• Molecular Formula: C₂₆H₃₃Cl₂N₃O₄
• Molecular Weight: 522.47
• CAS Registry Number: 10065-57-3
• SMILES: C1=C(N(CCCl)CCCl)C=CC(=C1)CC(C(NC(CC2=CC=CC=C2)C(OCC)=O)=O)NC(C)=O
• InChI: 1S/C26H33Cl2N3O4/c1-3-35-26(34)24(18-20-7-5-4-6-8-20)30-25(33)23(29-19(2)32)17-21-9-11-22(12-10-21)31(15-13-27)16-14-28/h4-12,23-24H,3,13-18H2,1-2H3,(H,29,32)(H,30,33)
• InChIKey: SPTPIOQJNAVKCR-UHFFFAOYSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 753.01°C at 760 mmHg (Cal.)
• Flash point: 409.206°C (Cal.)