Benzyl [(3aR,4S,7R,7aS)-7-Hydroxy-2,2-Dimethyl-3A,4,7,7A-Tetrahydro-1,3-Benzodioxol-4-Yl]Carbamate
[CAS# 138430-37-2]

Identification

• Name: Benzyl [(3aR,4S,7R,7aS)-7-Hydroxy-2,2-Dimethyl-3A,4,7,7A-Tetrahydro-1,3-Benzodioxol-4-Yl]Carbamate
• Molecular Formula: C₁₇H₂₁NO₅
• Molecular Weight: 319.35
• CAS Registry Number: 138430-37-2
• SMILES: O=C(OCc1ccccc1)N[C@H]2/C=C\[C@@H](O)[C@@H]3OC(C)(C)O[C@H]23
• InChI: 1S/C17H21NO5/c1-17(2)22-14-12(8-9-13(19)15(14)23-17)18-16(20)21-10-11-6-4-3-5-7-11/h3-9,12-15,19H,10H2,1-2H3,(H,18,20)/t12-,13+,14+,15-/m0/s1
• InChIKey: DPLQDGXQVGLRMM-YJNKXOJESA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 505.891°C at 760 mmHg (Cal.)
• Flash point: 259.754°C (Cal.)
• Refractive index: 1.587 (Cal.)