Lofenal
[CAS# 10047-08-2]

Identification

• Name: Lofenal
• Synonyms: (2S)-2-[[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxoethyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₁H₂₄Cl₂N₂O₃
• Molecular Weight: 423.34
• CAS Registry Number: 10047-08-2
• SMILES: [C@H](NC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1)(CC2=CC=CC=C2)C(=O)O
• InChI: 1S/C21H24Cl2N2O3/c22-10-12-25(13-11-23)18-8-6-17(7-9-18)15-20(26)24-19(21(27)28)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,26)(H,27,28)/t19-/m0/s1
• InChIKey: WOJORPYBSQEBBK-IBGZPJMESA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 667.044°C at 760 mmHg (Cal.)
• Flash point: 357.216°C (Cal.)