Chlorambucyl-Proline
[CAS# 81050-71-7]

Identification

• Name: Chlorambucyl-Proline
• Synonyms: (2S)-1-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyl]Proline; Chlorambucyl-Proline
• Molecular Formula: C₁₉H₂₆Cl₂N₂O₃
• Molecular Weight: 401.33
• CAS Registry Number: 81050-71-7
• SMILES: [C@H]1(C(=O)O)N(CCC1)C(CCCC2=CC=C(C=C2)N(CCCl)CCCl)=O
• InChI: 1S/C19H26Cl2N2O3/c20-10-13-22(14-11-21)16-8-6-15(7-9-16)3-1-5-18(24)23-12-2-4-17(23)19(25)26/h6-9,17H,1-5,10-14H2,(H,25,26)/t17-/m0/s1
• InChIKey: YNNHDRBQITYXLB-KRWDZBQOSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 616.339°C at 760 mmHg (Cal.)
• Flash point: 326.55°C (Cal.)