N-Butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-2-en-3-yl)-benzamide ethanedioate hydrate (1:1:1)
[CAS# 171261-23-7]

Identification

• Name: N-Butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-2-en-3-yl)-benzamide ethanedioate hydrate (1:1:1)
• Synonyms: N-Butyl-3,5-Dimethyl-N-(8-Methyl-8-Azabicyclo[3.2.1]Oct-3-En-3-Yl)Benzamide; Ethanedioic Acid; Benzamide, N-Butyl-3,5-Dimethyl-N-(8-Methyl-8-Azabicyclo(3.2.1)Oct-2-En-3-Yl)-, Ethanedioate, Hydrate (1:1:1)
• Molecular Formula: C₂₃H₃₂N₂O₅
• Molecular Weight: 416.52
• CAS Registry Number: 171261-23-7
• SMILES: C3=C(C(=O)N(C1=CC2N(C(C1)CC2)C)CCCC)C=C(C=C3C)C.O=C(O)C(=O)O
• InChI: 1S/C21H30N2O.C2H2O4/c1-5-6-9-23(20-13-18-7-8-19(14-20)22(18)4)21(24)17-11-15(2)10-16(3)12-17;3-1(4)2(5)6/h10-13,18-19H,5-9,14H2,1-4H3;(H,3,4)(H,5,6)
• InChIKey: JUVNBAUHTRLCSJ-UHFFFAOYSA-N

Properties

• Boiling point: 477.1°C at 760 mmHg (Cal.)
• Flash point: 195.5°C (Cal.)