(4-Cyclopentylphenyl)[methyl(1-phenylethyl)amino]methanol (2Z)-2-butenedioate (1:1)
[CAS# 85689-97-0]

Identification

• Name: (4-Cyclopentylphenyl)[methyl(1-phenylethyl)amino]methanol (2Z)-2-butenedioate (1:1)
• Molecular Formula: C₂₅H₃₁NO₅
• Molecular Weight: 425.52
• CAS Registry Number: 85689-97-0
• SMILES: O=C(O)\C=C/C(=O)O.OC(c1ccc(cc1)C2CCCC2)N(C(c3ccccc3)C)C
• InChI: 1S/C21H27NO.C4H4O4/c1-16(17-8-4-3-5-9-17)22(2)21(23)20-14-12-19(13-15-20)18-10-6-7-11-18;5-3(6)1-2-4(7)8/h3-5,8-9,12-16,18,21,23H,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: DHYINJJDKMAQOG-BTJKTKAUSA-N

Properties

• Boiling point: 424.7°C at 760 mmHg (Cal.)
• Flash point: 162.9°C (Cal.)