7,8-Dihydro-9-Methoxy-7,7-Dimethyl-6H-Cyclopent[g]Isoquinoline-5-Carboxylic Acid
[CAS# 18500-63-5]

Identification

• Name: 7,8-Dihydro-9-Methoxy-7,7-Dimethyl-6H-Cyclopent[g]Isoquinoline-5-Carboxylic Acid
• Synonyms: Illudinine; Illudimine; Nsc135050
• Molecular Formula: C₁₆H₁₇NO₃
• Molecular Weight: 271.32
• CAS Registry Number: 18500-63-5
• SMILES: C1=NC=CC2=C1C(=C3C(=C2C(=O)O)CC(C)(C)C3)OC
• InChI: 1S/C16H17NO3/c1-16(2)6-10-11(7-16)14(20-3)12-8-17-5-4-9(12)13(10)15(18)19/h4-5,8H,6-7H2,1-3H3,(H,18,19)
• InChIKey: FSBVQCVHOXXMGN-UHFFFAOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 474.351°C at 760 mmHg (Cal.)
• Flash point: 240.679°C (Cal.)