Aporphine
[CAS# 478-57-9]

Identification

• Name: Aporphine
• Synonyms: 6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinoline; Chebi:35643; 4H-Dibenzo(De,G)Quinoline, 5,6,6A,7-Tetrahydro-6-Methyl-
• Molecular Formula: C₁₇H₁₇N
• Molecular Weight: 235.33
• CAS Registry Number: 478-57-9
• SMILES: C1=C3C2=C(C=C1)CCN(C2CC4=CC=CC=C34)C
• InChI: 1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3
• InChIKey: BZKUYNBAFQJRDM-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 371.258°C at 760 mmHg (Cal.)
• Flash point: 160.499°C (Cal.)

References

• (1): Qiaoxia Liu, Shiyi Qiu, Hui Yu, Yanxiong Ke, Yu Jin and Xinmiao Liang. Selective separation of structure-related alkaloids in Rhizoma coptidis with “click” binaphthyl stationary phase and their structural elucidation with liquid chromatography-mass spectrometry, Analyst, 2011, 136, 4357.