Benzyl [(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)ethyl]carbamate
[CAS# 851974-77-1]

Identification

• Name: Benzyl [(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)ethyl]carbamate
• Molecular Formula: C₁₆H₂₁NO₆
• Molecular Weight: 323.34
• CAS Registry Number: 851974-77-1
• SMILES: O=C(OCc1ccccc1)N[C@H](C32OCC(CO2)(CO3)C)CO
• InChI: 1S/C16H21NO6/c1-15-9-21-16(22-10-15,23-11-15)13(7-18)17-14(19)20-8-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,17,19)/t13-,15?,16?/m0/s1
• InChIKey: XTZJPDHTFJRYOD-JEYLPNPQSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 482.696°C at 760 mmHg (Cal.)
• Flash point: 245.726°C (Cal.)
• Refractive index: 1.57 (Cal.)