3-Chloro-L-alanyl-3-chloro-L-alanine
[CAS# 87205-45-6]

Identification

• Name: 3-Chloro-L-alanyl-3-chloro-L-alanine
• Synonyms: (2R)-2-{[(2R)-2-ammonio-3-chloropropanoyl]amino}-3-chloropropanoate; (2R)-2-{[(2R)-2-ammonio-3-chloropropanoyl]amino}-3-chloropropanoate; Trifluoroacetate; 3-Chloroalanyl-3-chloroalanine
• Molecular Formula: C₆H₁₀Cl₂N₂O₃
• Molecular Weight: 229.06
• CAS Registry Number: 87205-45-6
• SMILES: C([C@@H](C(=O)N[C@@H](CCl)C(=O)O)N)Cl
• InChI: 1S/C6H10Cl2N2O3/c7-1-3(9)5(11)10-4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-/m0/s1
• InChIKey: VFVOOLWBPFEFKL-IMJSIDKUSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 441.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 221.0±28.7°C (Cal.)