1-Hexyl-4-[[4-(1,3-Thiazol-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
[CAS# 77917-94-3]

Identification

• Name: 1-Hexyl-4-[[4-(1,3-Thiazol-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione
• Synonyms: 1-Hexyl-4-[[4-(Thiazol-2-Ylamino)Phenyl]Methyl]Piperazine-2,3-Dione; 1-Hexyl-4-[[4-(2-Thiazolylamino)Phenyl]Methyl]Piperazine-2,3-Dione; 1-Hexyl-4-[4-(Thiazol-2-Ylamino)Benzyl]Piperazine-2,3-Quinone
• Molecular Formula: C₂₀H₂₆N₄O₂S
• Molecular Weight: 386.51
• CAS Registry Number: 77917-94-3
• SMILES: C1=CC(=CC=C1CN2C(C(N(CC2)CCCCCC)=O)=O)NC3=NC=CS3
• InChI: 1S/C20H26N4O2S/c1-2-3-4-5-11-23-12-13-24(19(26)18(23)25)15-16-6-8-17(9-7-16)22-20-21-10-14-27-20/h6-10,14H,2-5,11-13,15H2,1H3,(H,21,22)
• InChIKey: JIHFRULTXJLIKT-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 541.106°C at 760 mmHg (Cal.)
• Flash point: 281.051°C (Cal.)