N-[4-[Bis(2-chloroethyl)amino]phenacetyl]-L-histidine methyl ester
[CAS# 2764-56-9]

Identification

• Name: N-[4-[Bis(2-chloroethyl)amino]phenacetyl]-L-histidine methyl ester
• Synonyms: (2S)-2-[[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxoethyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid Methyl Ester Dihydrochloride; (2S)-2-[[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propionic Acid Methyl Ester Dihydrochloride; Methyl (2S)-2-[2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoylamino]-3-(3H-Imidazol-4-Yl)Propanoate Dihydrochloride
• Molecular Formula: C₁₉H₂₆Cl₄N₄O₃
• Molecular Weight: 500.25
• CAS Registry Number: 2764-56-9
• SMILES: [C@H](NC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1)(CC2=CN=C[NH]2)C(OC)=O.[H+].[H+].[Cl-].[Cl-]
• InChI: 1S/C19H24Cl2N4O3.2ClH/c1-28-19(27)17(11-15-12-22-13-23-15)24-18(26)10-14-2-4-16(5-3-14)25(8-6-20)9-7-21;;/h2-5,12-13,17H,6-11H2,1H3,(H,22,23)(H,24,26);2*1H/t17-;;/m0../s1
• InChIKey: SIZZZHCJAYTSAI-RMRYJAPISA-N

Properties

• Boiling point: 700.2°C at 760 mmHg (Cal.)
• Flash point: 377.2°C (Cal.)