Sodium 3-[[1-(4-Benzylpiperazin-1-Yl)-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
[CAS# 84456-39-3]

Identification

• Name: Sodium 3-[[1-(4-Benzylpiperazin-1-Yl)-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
• Synonyms: Sodium 3-[[1-(4-Benzylpiperazine-1-Carbonyl)-3-Methyl-Butyl]Carbamoyl]Oxirane-2-Carboxylate; Sodium 3-[[[1-[(4-Benzyl-1-Piperazinyl)-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-2-Oxiranecarboxylate; Sodium 3-[[4-Methyl-1-Oxo-1-[4-(Phenylmethyl)Piperazin-1-Yl]Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
• Molecular Formula: C₂₁H₂₈N₃NaO₅
• Molecular Weight: 425.46
• CAS Registry Number: 84456-39-3
• SMILES: C3=C(CN2CCN(C(=O)C(NC(=O)C1OC1C([O-])=O)CC(C)C)CC2)C=CC=C3.[Na+]
• InChI: 1S/C21H29N3O5.Na/c1-14(2)12-16(22-19(25)17-18(29-17)21(27)28)20(26)24-10-8-23(9-11-24)13-15-6-4-3-5-7-15;/h3-7,14,16-18H,8-13H2,1-2H3,(H,22,25)(H,27,28);/q;+1/p-1
• InChIKey: HAUJVFZPKVRLGM-UHFFFAOYSA-M

Properties

• Boiling point: 663.2°C at 760 mmHg (Cal.)
• Flash point: 354.9°C (Cal.)