N-[3-(1H-Imidazol-4-Yl)Propyl]-1H-Benzimidazol-2-Amine Ethanedioate (1:2)
[CAS# 184576-87-2]

Identification

• Name: N-[3-(1H-Imidazol-4-Yl)Propyl]-1H-Benzimidazol-2-Amine Ethanedioate (1:2)
• Synonyms: N-[3-(1H-Imidazol-4-yl)propyl]-1H-benzimidazol-2-amine dioxalate; ROS 234 dioxalate
• Molecular Formula: C₁₇H₁₉N₅O₈
• Molecular Weight: 421.36
• CAS Registry Number: 184576-87-2
• SMILES: C1=CC=C2C(=C1)NC(=N2)NCCCC3=CNC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
• InChI: 1S/C13H15N5.2C2H2O4/c1-2-6-12-11(5-1)17-13(18-12)15-7-3-4-10-8-14-9-16-10;2*3-1(4)2(5)6/h1-2,5-6,8-9H,3-4,7H2,(H,14,16)(H2,15,17,18);2*(H,3,4)(H,5,6)
• InChIKey: JKTBCMILCFDKEJ-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 50 mM in water and to 50 mM in DMSO