(3aS,4R,6S,7S,7aS)-6-Amino-7-hydroxy-4-methoxy-3-methylhexahydro-1,3-benzoxazol-2(3H)-one
[CAS# 785740-69-4]

Identification

• Name: (3aS,4R,6S,7S,7aS)-6-Amino-7-hydroxy-4-methoxy-3-methylhexahydro-1,3-benzoxazol-2(3H)-one
• Synonyms: (3aS,4R,6S,7S,7aS)-6-amino-7-hydroxy-4-methoxy-3-methylhexahydrobenzo[d]oxazol-2(3H)-one
• Molecular Formula: C₉H₁₆N₂O₄
• Molecular Weight: 216.23
• CAS Registry Number: 785740-69-4
• SMILES: CN1[C@H]2[C@@H](C[C@@H]([C@@H]([C@H]2OC1=O)O)N)OC
• InChI: 1S/C9H16N2O4/c1-11-6-5(14-2)3-4(10)7(12)8(6)15-9(11)13/h4-8,12H,3,10H2,1-2H3/t4-,5+,6-,7-,8-/m0/s1
• InChIKey: SVKHPMORBBEIHV-BJNUKLAGSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 441.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 220.6±28.7°C (Cal.)
• Refractive index: 1.563 (Cal.)