(4aR,8aR)-1-Ethoxy-5-Methyl-4A,7,8,8A-Tetrahydro-3(4H)-Isoquinolinone
[CAS# 122490-25-9]

Identification

• Name: (4aR,8aR)-1-Ethoxy-5-Methyl-4A,7,8,8A-Tetrahydro-3(4H)-Isoquinolinone
• Synonyms: (4aR,8aR)-1-ethoxy-5-methyl-4,4a,8,8a-tetrahydroisoquinolin-3(7H)-one
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.27
• CAS Registry Number: 122490-25-9
• SMILES: CCOC1=NC(=O)C[C@@H]2[C@H]1CCC=C2C
• InChI: 1S/C12H17NO2/c1-3-15-12-9-6-4-5-8(2)10(9)7-11(14)13-12/h5,9-10H,3-4,6-7H2,1-2H3/t9-,10+/m1/s1
• InChIKey: XPGHVQAQJLBFDH-ZJUUUORDSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 298.217°C at 760 mmHg (Cal.)
• Flash point: 124.751°C (Cal.)
• Refractive index: 1.571 (Cal.)