(3aR,4S,7R,7aS)-7-[(Methoxycarbonyl)Amino]-2,2-Dimethyl-3A,4,7,7A-Tetrahydro-1,3-Benzodioxol-4-Yl Acetate
[CAS# 312623-98-6]

Identification

• Name: (3aR,4S,7R,7aS)-7-[(Methoxycarbonyl)Amino]-2,2-Dimethyl-3A,4,7,7A-Tetrahydro-1,3-Benzodioxol-4-Yl Acetate
• Molecular Formula: C₁₃H₁₉NO₆
• Molecular Weight: 285.29
• CAS Registry Number: 312623-98-6
• SMILES: COC(=O)N[C@@H]1/C=C\[C@H](OC(C)=O)[C@H]2OC(C)(C)O[C@@H]12
• InChI: 1S/C13H19NO6/c1-7(15)18-9-6-5-8(14-12(16)17-4)10-11(9)20-13(2,3)19-10/h5-6,8-11H,1-4H3,(H,14,16)/t8-,9+,10+,11-/m1/s1
• InChIKey: ADPTVNCDHDCPAL-VPOLOUISSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 388.391°C at 760 mmHg (Cal.)
• Flash point: 188.693°C (Cal.)
• Refractive index: 1.514 (Cal.)