N-{[(4-Cyclopentylbenzyl)oxy]methyl}-2-propanamine (2Z)-2-butenedioate (1:1)
[CAS# 85689-83-4]

Identification

• Name: N-{[(4-Cyclopentylbenzyl)oxy]methyl}-2-propanamine (2Z)-2-butenedioate (1:1)
• Molecular Formula: C₂₀H₂₉NO₅
• Molecular Weight: 363.45
• CAS Registry Number: 85689-83-4
• SMILES: O=C(O)\C=C/C(=O)O.O(CNC(C)C)Cc1ccc(cc1)C2CCCC2
• InChI: 1S/C16H25NO.C4H4O4/c1-13(2)17-12-18-11-14-7-9-16(10-8-14)15-5-3-4-6-15;5-3(6)1-2-4(7)8/h7-10,13,15,17H,3-6,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• InChIKey: NDJXJNKNXUWHTE-BTJKTKAUSA-N

Properties

• Boiling point: 345.6°C at 760 mmHg (Cal.)
• Flash point: 148.9°C (Cal.)