1-[[4-[(5-Amino-6-Chloropyridin-2-Yl)Amino]Phenyl]Methyl]-4-(Phenylmethyl)Piperazine-2,3-Dione
[CAS# 77918-04-8]

Identification

• Name: 1-[[4-[(5-Amino-6-Chloropyridin-2-Yl)Amino]Phenyl]Methyl]-4-(Phenylmethyl)Piperazine-2,3-Dione
• Synonyms: 1-[[4-[(5-Amino-6-Chloro-2-Pyridyl)Amino]Phenyl]Methyl]-4-(Phenylmethyl)Piperazine-2,3-Dione; 1-[4-[(5-Amino-6-Chloro-2-Pyridyl)Amino]Benzyl]-4-(Benzyl)Piperazine-2,3-Quinone; 1-[[4-[(5-Amino-6-Chloro-Pyridin-2-Yl)Amino]Phenyl]Methyl]-4-(Phenylmethyl)Piperazine-2,3-Dione
• Molecular Formula: C₂₃H₂₂ClN₅O₂
• Molecular Weight: 435.91
• CAS Registry Number: 77918-04-8
• SMILES: C3=C(CN1C(=O)C(=O)N(CC1)CC2=CC=CC=C2)C=CC(=C3)NC4=NC(=C(N)C=C4)Cl
• InChI: 1S/C23H22ClN5O2/c24-21-19(25)10-11-20(27-21)26-18-8-6-17(7-9-18)15-29-13-12-28(22(30)23(29)31)14-16-4-2-1-3-5-16/h1-11H,12-15,25H2,(H,26,27)
• InChIKey: KHWTZMSGVSLLEV-UHFFFAOYSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 639.876°C at 760 mmHg (Cal.)
• Flash point: 340.785°C (Cal.)