Annotinine
[CAS# 559-49-9]

Identification

• Name: Annotinine
• Synonyms: 4-27-00-06563 (Beilstein Handbook Reference); Annotinin; Brn 0030714
• Molecular Formula: C₁₆H₂₁NO₃
• Molecular Weight: 275.35
• CAS Registry Number: 559-49-9
• SMILES: [C@]246[C@]1(N(CCC[C@@H]1[C@H]3C[C@@H]2C(O3)=O)C[C@@H]5[C@H]4O5)CC6C
• InChI: 1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/t8?,9-,10-,11-,12-,13-,15+,16+/m1/s1
• InChIKey: MVITYUVPZPGMRM-RLFDSYHXSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 462.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 233.2±28.7°C (Cal.)