gamma-Glutamyl-p-phenylene diamine mustard ditrifluoroacetate
[CAS# 79133-10-1]

Identification

• Name: gamma-Glutamyl-p-phenylene diamine mustard ditrifluoroacetate
• Synonyms: (2S)-5-Amino-2-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Oxo-Pentanoic Acid; 2,2,2-Trifluoroacetic Acid; (2S)-5-Amino-2-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Keto-Valeric Acid; 2,2,2-Trifluoroacetic Acid; (2S)-5-Amino-2-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Amino]-5-Oxo-Pentanoic Acid; 2,2,2-Trifluoroethanoic Acid
• Molecular Formula: C₁₉H₂₃Cl₂F₆N₃O₇
• Molecular Weight: 590.30
• CAS Registry Number: 79133-10-1
• SMILES: [C@@H](NC1=CC=C(N(CCCl)CCCl)C=C1)(C(=O)O)CCC(=O)N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: 1S/C15H21Cl2N3O3.2C2HF3O2/c16-7-9-20(10-8-17)12-3-1-11(2-4-12)19-13(15(22)23)5-6-14(18)21;2*3-2(4,5)1(6)7/h1-4,13,19H,5-10H2,(H2,18,21)(H,22,23);2*(H,6,7)/t13-;;/m0../s1
• InChIKey: PYQQRVCLCSUWCZ-GXKRWWSZSA-N

Properties

• Boiling point: 675.3°C at 760 mmHg (Cal.)
• Flash point: 362.2°C (Cal.)